Geometry & MOs

Info

ID:	138137
PubChem CID:	52317429
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-125.93
Dipole, Da:	6.35
IP(EA), eV:	-8.85(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-methoxyphenyl)sulfanyl-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC(=O)N)SC1=CC=CC=C1OC

DOS

IR

Vibrations