Geometry & MOs

Info

ID:	38811
PubChem CID:	8137964
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	381.01466
ΔH_f, kcal/mol:	-29.15
Dipole, Da:	2.27
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations