Geometry & MOs

Info

ID:	280383
PubChem CID:	103848807
Reduced:	ClNSO3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	373.03473
ΔH_f, kcal/mol:	-121.13
Dipole, Da:	2.5
IP(EA), eV:	-9.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)CSC2=CC=CC=C2Cl)O

DOS

IR

Vibrations