Geometry & MOs

Info

ID:	38021
PubChem CID:	8026444
Reduced:	NOSC21H21 (1)
Stoich.:	ABCD21E21 (1)
Weight, g/mol:	335.134385
ΔH_f, kcal/mol:	3.51
Dipole, Da:	4.35
IP(EA), eV:	-9.0(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)sulfanyl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)N[C@@H](C)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations