Geometry & MOs

Info

ID:	38867
PubChem CID:	8138083
Reduced:	NSO6C21H29 (1)
Stoich.:	ABC6D21E29 (1)
Weight, g/mol:	405.099252
ΔH_f, kcal/mol:	-253.41
Dipole, Da:	6.18
IP(EA), eV:	-8.54(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3CCCC3)C

DOS

IR

Vibrations