Geometry & MOs

Info

ID:	35009
PubChem CID:	7979190
Reduced:	NSO4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	-122.17
Dipole, Da:	2.42
IP(EA), eV:	-9.11(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide

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