Geometry & MOs

Info

ID:	265380
PubChem CID:	103519068
Reduced:	BrS2N3O4H6C10 (1)
Stoich.:	AB2C3D4E6F10 (1)
Weight, g/mol:	373.94329
ΔH_f, kcal/mol:	-24.11
Dipole, Da:	4.9
IP(EA), eV:	-9.22(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-(3-bromo-5-nitropyridin-4-yl)sulfanyltetrazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)SC2=C(C=NC=C2[N+](=O)[O-])Br)C(=O)O

DOS

IR

Vibrations