Geometry & MOs

Info

ID:	32728
PubChem CID:	7847418
Reduced:	N2S2O3C18H22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	343.1606
ΔH_f, kcal/mol:	-94.55
Dipole, Da:	4.05
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=NC(=CS2)CC(=O)OC

DOS

IR

Vibrations