Geometry & MOs

Info

ID:	248178
PubChem CID:	103079469
Reduced:	SN3O4C10H13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	299.043673
ΔH_f, kcal/mol:	-41.11
Dipole, Da:	5.42
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)SCC2(CC2)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations