Geometry & MOs

Info

ID:	222558
PubChem CID:	85305517
Reduced:	NOPC23H32 (1)
Stoich.:	ABCD23E32 (1)
Weight, g/mol:	369.118735
ΔH_f, kcal/mol:	-74.04
Dipole, Da:	3.85
IP(EA), eV:	-9.3(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-11-[(4-methylphenyl)methylidene]-6-sulfanylidenebenzo[c][1]benzazocin-12-one

Drug info:

PubChemData

Smile

CC(C)CC(CC1CCCC1)NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations