Geometry & MOs

Info

ID:	435584
PubChem CID:	135191863
Reduced:	ClNO3C23H32 (1)
Stoich.:	ABC3D23E32 (1)
Weight, g/mol:	395.175753
ΔH_f, kcal/mol:	-61.79
Dipole, Da:	1.73
IP(EA), eV:	-9.12(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-amino-2-phenylethylidene)amino]-N-[(3S)-8-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-iminoacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1Cl)N=O)C/C=C(\C)/CC/C=C(\C)/CCC2C(O2)(C)C)CO

DOS

IR

Vibrations