Geometry & MOs

Info

ID:	35005
PubChem CID:	7979186
Reduced:	NSO4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	380.00217
ΔH_f, kcal/mol:	-127.8
Dipole, Da:	3.79
IP(EA), eV:	-8.99(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-iodobenzoyl)-4-methylbenzohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4)C

DOS

IR

Vibrations