Geometry & MOs

Info

ID:	338430
PubChem CID:	127259122
Reduced:	ClNO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	231.996093
ΔH_f, kcal/mol:	-113.73
Dipole, Da:	2.67
IP(EA), eV:	-9.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)sulfinylmethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(=O)N(C)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations