Geometry & MOs

Info

ID:	338384
PubChem CID:	127259076
Reduced:	BrNSO5H12C15 (1)
Stoich.:	ABCD5E12F15 (1)
Weight, g/mol:	275.94558
ΔH_f, kcal/mol:	-61.18
Dipole, Da:	4.53
IP(EA), eV:	-9.1(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromophenyl)sulfinylmethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C1=CC=C(C=C1)[N+](=O)[O-])S(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations