Geometry & MOs

Info

ID:	62220
PubChem CID:	26718405
Reduced:	ClO2N6H13C16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	342.042276
ΔH_f, kcal/mol:	53.09
Dipole, Da:	1.19
IP(EA), eV:	-9.5(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-nitro-1-benzothiophene-2-carbonyl)pyridine-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=NN(N=C1C(=O)NNC(=O)C2=CC=CC=N2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations