Geometry & MOs

Info

ID:	158442
PubChem CID:	56463651
Reduced:	S2N3O6C18H27 (1)
Stoich.:	A2B3C6D18E27 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-239.63
Dipole, Da:	6.82
IP(EA), eV:	-9.38(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations