Geometry & MOs

Info

ID:	38846
PubChem CID:	8138037
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	300.085855
ΔH_f, kcal/mol:	-60.95
Dipole, Da:	4.77
IP(EA), eV:	-8.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations