Geometry & MOs

Info

ID:	38909
PubChem CID:	8138145
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	335.093977
ΔH_f, kcal/mol:	-106.09
Dipole, Da:	2.45
IP(EA), eV:	-8.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(4-methylphenyl)sulfonylpropanoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCCCC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations