Geometry & MOs

Info

ID:	38996
PubChem CID:	8138314
Reduced:	SN4O5C19H24 (1)
Stoich.:	AB4C5D19E24 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	-143.86
Dipole, Da:	6.92
IP(EA), eV:	-9.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)C3=CC=CN3)OC

DOS

IR

Vibrations