Geometry & MOs

Info

ID:	143679
PubChem CID:	53247008
Reduced:	FNOC8H8 (3)
Stoich.:	ABCD8E8 (3)
Weight, g/mol:	944.411747
ΔH_f, kcal/mol:	-235.82
Dipole, Da:	7.0
IP(EA), eV:	-7.91(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(cyclohexanecarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]cyclohexanecarboxamide

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(CCN(C1)C2=CC(=C(C=C2)NC(=O)C3=CNC4=C(C3=O)C=C(C=C4)OC)C(F)(F)F)C

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(CCN(C1)C2=CC(=C(C=C2)NC(=O)C3=CNC4=C(C3=O)C=C(C=C4)OC)C(F)(F)F)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):