Geometry & MOs

Info

ID:	137959
PubChem CID:	52291545
Reduced:	OSN2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	456.216141
ΔH_f, kcal/mol:	18.08
Dipole, Da:	3.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.796655
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

C[NH+](CC1=CC=CC=C1)CC(=O)N[C@H]2CCSC3=CC=CC=C23

DOS

IR

Vibrations