Geometry & MOs

Info

ID:	137618
PubChem CID:	52236011
Reduced:	N2S2O4C17H18 (1)
Stoich.:	A2B2C4D17E18 (1)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	-55.9
Dipole, Da:	4.07
IP(EA), eV:	-8.92(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-methoxyphenyl)methylsulfonyl]-N-[(1S)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CS(=O)(=O)CCCC2=NC(=NO2)C3=CC=CS3

DOS

IR

Vibrations