Geometry & MOs

Info

ID:	38927
PubChem CID:	8138176
Reduced:	ClNS2O4C17H18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	323.049526
ΔH_f, kcal/mol:	-131.58
Dipole, Da:	6.43
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCCSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations