Geometry & MOs

Info

ID:	280449
PubChem CID:	103849365
Reduced:	ClNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	315.069592
ΔH_f, kcal/mol:	-131.42
Dipole, Da:	3.44
IP(EA), eV:	-9.03(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methylsulfanyl]-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)CSCC2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations