Geometry & MOs

Info

ID:	39020
PubChem CID:	8138365
Reduced:	O2S2N5C16H17 (1)
Stoich.:	A2B2C5D16E17 (1)
Weight, g/mol:	323.067284
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	3.03
IP(EA), eV:	-8.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NNC(=O)C3=CC=CN3)C

DOS

IR

Vibrations