Geometry & MOs

Info

ID:	187772
PubChem CID:	77621939
Reduced:	N3O3C11H13 (2)
Stoich.:	A3B3C11D13 (2)
Weight, g/mol:	535.228263
ΔH_f, kcal/mol:	-64.99
Dipole, Da:	3.36
IP(EA), eV:	-8.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(1-methyl-2-oxo-4,7-diphenylazepan-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC3=CC=CC=C3CC4=NN(N=N4)C)O)C(OC)OC

DOS

IR

Vibrations