Geometry & MOs

Info

ID:	139331
PubChem CID:	52511471
Reduced:	O3N4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	376.143234
ΔH_f, kcal/mol:	-84.38
Dipole, Da:	6.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766921
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methylsulfanyl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide

Drug info:

PubChemData

Smile

C1C[C@H]([NH+](C1)CC2=CC=CC=C2)C(=O)N3CCC4(CC3)C(=O)NC(=O)N4

DOS

IR

Vibrations