Geometry & MOs

Info

ID:	302927
PubChem CID:	124403694
Reduced:	ClSN2O4C25H27 (1)
Stoich.:	ABC2D4E25F27 (1)
Weight, g/mol:	452.176979
ΔH_f, kcal/mol:	-114.39
Dipole, Da:	3.23
IP(EA), eV:	-9.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](C2=CC=CC=C2)NC(=O)[C@H](C)N(C3=C(C=CC(=C3)Cl)OC)S(=O)(=O)C

DOS

IR

Vibrations