Geometry & MOs

Info

ID:	34739
PubChem CID:	7978884
Reduced:	ClNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	386.104876
ΔH_f, kcal/mol:	-123.43
Dipole, Da:	6.11
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1C[C@]2(N(C1=O)[C@H](CS2)C(=O)OCCOC3=CC=CC=C3Cl)C4=CC=CC=C4

DOS

IR

Vibrations