Geometry & MOs

Info

ID:	154297
PubChem CID:	56313710
Reduced:	N3O6C21H29 (1)
Stoich.:	A3B6C21D29 (1)
Weight, g/mol:	420.063459
ΔH_f, kcal/mol:	-177.47
Dipole, Da:	2.7
IP(EA), eV:	-8.77(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=O)C(C)C2=C(ON=C2C)C

DOS

IR

Vibrations