Geometry & MOs

Info

ID:	390203
PubChem CID:	134997727
Reduced:	NSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	443.152144
ΔH_f, kcal/mol:	-14.84
Dipole, Da:	4.2
IP(EA), eV:	-9.47(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-1-benzoyl-2-[hydroxy(phenyl)methylidene]-3-phenyl-1-benzazepin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/C)\C=C\C2=CC=CC=C2

DOS

IR

Vibrations