Geometry & MOs

Info

ID:	38813
PubChem CID:	8137966
Reduced:	ClNO4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	291.067762
ΔH_f, kcal/mol:	-106.45
Dipole, Da:	1.17
IP(EA), eV:	-9.19(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-oxo-4-thiophen-2-ylbutanoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@@H](C1=CC=CC=C1)C(=O)NC2CC2)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations