Geometry & MOs

Info

ID:	127221
PubChem CID:	50995048
Reduced:	N2O2F3H17C24 (1)
Stoich.:	A2B2C3D17E24 (1)
Weight, g/mol:	702.354111
ΔH_f, kcal/mol:	-153.37
Dipole, Da:	6.39
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6S,15R)-N-[3-(dimethylamino)propyl]-20-fluoro-11,16-dimethyl-6-[(2-naphthalen-1-ylacetyl)amino]-9,12,17-trioxo-2-oxa-8,11,16-triazatricyclo[16.4.0.04,8]docosa-1(18),19,21-triene-15-carboxamide

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=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(F)(F)F)C3=CC4=C(C=C3)C=CN=C4

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=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(F)(F)F)C3=CC4=C(C=C3)C=CN=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):