Geometry & MOs

Info

ID:	129045
PubChem CID:	51068038
Reduced:	ClSN3O4C26H26 (1)
Stoich.:	ABC3D4E26F26 (1)
Weight, g/mol:	529.138004
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	1.66
IP(EA), eV:	-8.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(2-chlorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

COCCN(CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)OC)C3=CC=CC=C3Cl)C(=O)C4=CC=CS4

DOS

IR

Vibrations