Geometry & MOs

Info

ID:	35121
PubChem CID:	7979343
Reduced:	ClNSO3H18C20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	271.041548
ΔH_f, kcal/mol:	-88.15
Dipole, Da:	2.95
IP(EA), eV:	-9.13(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-cyanobenzoyl)thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@H](CS2)C(=O)OCC3=CC(=CC=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations