Geometry & MOs

Info

ID:	38950
PubChem CID:	8138221
Reduced:	N2O2C9H9 (2)
Stoich.:	A2B2C9D9 (2)
Weight, g/mol:	377.034938
ΔH_f, kcal/mol:	-92.44
Dipole, Da:	2.59
IP(EA), eV:	-9.62(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations