Geometry & MOs

Info

ID:	30896
PubChem CID:	845916
Reduced:	OSN3C17H29 (1)
Stoich.:	ABC3D17E29 (1)
Weight, g/mol:	209.087435
ΔH_f, kcal/mol:	-49.04
Dipole, Da:	7.78
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-benzylsulfanyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCC(=S)N1CCN(CC1)CCNC2=CC(=O)CC(C2)(C)C

DOS

IR

Vibrations