Geometry & MOs

Info

ID:	38848
PubChem CID:	8138040
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	325.088498
ΔH_f, kcal/mol:	-71.63
Dipole, Da:	1.29
IP(EA), eV:	-9.07(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-naphthalen-2-ylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC

DOS

IR

Vibrations