Geometry & MOs

Info

ID:	38020
PubChem CID:	8026436
Reduced:	SO3N4H16C21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	335.134385
ΔH_f, kcal/mol:	21.16
Dipole, Da:	9.8
IP(EA), eV:	-9.01(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4)C

DOS

IR

Vibrations