Geometry & MOs

Info

ID:	397220
PubChem CID:	135029905
Reduced:	SN2O4H14C15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	326.95648
ΔH_f, kcal/mol:	11.37
Dipole, Da:	5.28
IP(EA), eV:	-9.04(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromoquinolin-6-yl)sulfanyl-2-methoxyacetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1S(=N)(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations