Geometry & MOs

Info

ID:	306530
PubChem CID:	125085685
Reduced:	SCl3N3O4C31H36 (1)
Stoich.:	AB3C3D4E31F36 (1)
Weight, g/mol:	452.143964
ΔH_f, kcal/mol:	-164.36
Dipole, Da:	5.5
IP(EA), eV:	-9.21(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations