Geometry & MOs

Info

ID:	290398
PubChem CID:	104451932
Reduced:	SBr2N2O2H6C11 (1)
Stoich.:	AB2C2D2E6F11 (1)
Weight, g/mol:	394.85102
ΔH_f, kcal/mol:	-8.87
Dipole, Da:	5.92
IP(EA), eV:	-9.35(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,5-dibromopyridin-2-yl)sulfanyltetrazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)SC2=C(C=C(C=N2)Br)Br)C(=O)O

DOS

IR

Vibrations