Geometry & MOs

Info

ID:	57957
PubChem CID:	24398021
Reduced:	ClSN2O2C19H21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	458.117939
ΔH_f, kcal/mol:	-72.99
Dipole, Da:	2.53
IP(EA), eV:	-8.66(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=C(C=C(C=C2)Cl)C

DOS

IR

Vibrations