Geometry & MOs

Info

ID:	35243
PubChem CID:	7979569
Reduced:	NSO4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	389.114234
ΔH_f, kcal/mol:	-126.25
Dipole, Da:	2.86
IP(EA), eV:	-8.92(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations