Geometry & MOs

Info

ID:	145468
PubChem CID:	53529758
Reduced:	SN2O2C20H28 (1)
Stoich.:	AB2C2D20E28 (1)
Weight, g/mol:	302.108899
ΔH_f, kcal/mol:	-65.75
Dipole, Da:	4.39
IP(EA), eV:	-8.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)sulfanyl-N-(2-pyridin-3-ylethyl)acetamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1CCN(CC1)C(C)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations