Geometry & MOs

Info

ID:	35519
PubChem CID:	7979981
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	398.104876
ΔH_f, kcal/mol:	-102.99
Dipole, Da:	6.39
IP(EA), eV:	-9.72(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations