Geometry & MOs

Info

ID:	302926
PubChem CID:	124403691
Reduced:	ON2C20H30 (1)
Stoich.:	AB2C20D30 (1)
Weight, g/mol:	486.138006
ΔH_f, kcal/mol:	-52.57
Dipole, Da:	5.34
IP(EA), eV:	-8.83(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)CC2=CC=C(C=C2)C(=O)N3CCC[C@@H](C3)C

DOS

IR

Vibrations