Geometry & MOs

Info

ID:	158200
PubChem CID:	56463151
Reduced:	S2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	429.068068
ΔH_f, kcal/mol:	-21.48
Dipole, Da:	7.41
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-chloro-1-[(4-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-N-(2-ethylsulfonylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)/C=C/C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

DOS

IR

Vibrations