Geometry & MOs

Info

ID:	138951
PubChem CID:	52448469
Reduced:	NSO3C17H27 (1)
Stoich.:	ABC3D17E27 (1)
Weight, g/mol:	325.171165
ΔH_f, kcal/mol:	-128.65
Dipole, Da:	3.96
IP(EA), eV:	-8.33(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCS[C@@H](C)C(=O)N[C@@H](C)C1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations