Geometry & MOs

Info

ID:	60552
PubChem CID:	26697182
Reduced:	SO3N4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	452.188212
ΔH_f, kcal/mol:	-64.62
Dipole, Da:	0.73
IP(EA), eV:	-8.65(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CS[C@@H](C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

DOS

IR

Vibrations