Geometry & MOs

Info

ID:	38896
PubChem CID:	8138128
Reduced:	SN4O4H18C19 (1)
Stoich.:	AB4C4D18E19 (1)
Weight, g/mol:	289.088498
ΔH_f, kcal/mol:	-63.33
Dipole, Da:	3.42
IP(EA), eV:	-9.26(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-benzylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations