Geometry & MOs

Info

ID:	226243
PubChem CID:	87350217
Reduced:	FN3O3C32H32 (1)
Stoich.:	AB3C3D32E32 (1)
Weight, g/mol:	908.442533
ΔH_f, kcal/mol:	-89.74
Dipole, Da:	7.59
IP(EA), eV:	-8.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(cyclopropylmethylamino)phenyl]-N'-[(2S)-2-[3-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methylpyridin-4-yl)phenyl]-N-[4-(2-methylpyridin-4-yl)phenyl]propanehydrazide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=NC=CC(=C1)C2=C(C=C(C=C2)NC(=O)[C@@H](C)C3=CC(=CC(=C3)C4=CC=C(C=C4)N5CCOCC5)F)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=NC=CC(=C1)C2=C(C=C(C=C2)NC(=O)[C@@H](C)C3=CC(=CC(=C3)C4=CC=C(C=C4)N5CCOCC5)F)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):