Geometry & MOs

Info

ID:	38980
PubChem CID:	8138285
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	333.111341
ΔH_f, kcal/mol:	-87.76
Dipole, Da:	1.95
IP(EA), eV:	-9.54(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)OC(=O)C1=CC2=C(C=C1)N=CS2

DOS

IR

Vibrations