Geometry & MOs

Info

ID:	320998
PubChem CID:	126664377
Reduced:	SF3N4O6C32H43 (1)
Stoich.:	AB3C4D6E32F43 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-358.29
Dipole, Da:	4.09
IP(EA), eV:	-9.01(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(methylamino)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1(CC(CCO1)[C@H](C2=CC=C(C=C2)F)[C@@H](C(=O)NC3=C(C(=C(C=C3)F)F)CC[C@H]4CN[C@@H]5CCCS(N4C5)(O)O)NC(=O)O)C

DOS

IR

Vibrations