Geometry & MOs

Info

ID:	338403
PubChem CID:	127259095
Reduced:	N3O3C9H11 (1)
Stoich.:	A3B3C9D11 (1)
Weight, g/mol:	325.96123
ΔH_f, kcal/mol:	-82.13
Dipole, Da:	2.99
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromonaphthalen-2-yl)sulfinylmethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C=O)NC1=C(C=CC=N1)N

DOS

IR

Vibrations