Geometry & MOs

Info

ID:	62211
PubChem CID:	26718238
Reduced:	FSN4O4H21C22 (1)
Stoich.:	ABC4D4E21F22 (1)
Weight, g/mol:	424.138284
ΔH_f, kcal/mol:	-103.93
Dipole, Da:	4.78
IP(EA), eV:	-8.88(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-5-methoxy-2-nitro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NNC(=O)C3=CC=CC=C3N4C=CC=C4

DOS

IR

Vibrations