Geometry & MOs

Info

ID:	138953
PubChem CID:	52448471
Reduced:	FSO2N3C15H18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	325.171165
ΔH_f, kcal/mol:	-102.99
Dipole, Da:	5.18
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-butylsulfanyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CNC1=NC(=O)[C@@H](S1)CC(=O)NC2=CC=CC=C2F

DOS

IR

Vibrations