Geometry & MOs

Info

ID:	39035
PubChem CID:	8138406
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-28.75
Dipole, Da:	2.59
IP(EA), eV:	-8.72(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SCC(=O)NNC(=O)C2=CC=CN2)C

DOS

IR

Vibrations