Geometry & MOs

Info

ID:	284885
PubChem CID:	104080489
Reduced:	NSO3C9H19 (1)
Stoich.:	ABC3D9E19 (1)
Weight, g/mol:	220.008868
ΔH_f, kcal/mol:	-154.59
Dipole, Da:	5.55
IP(EA), eV:	-9.68(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-(methyldisulfanyl)tetrazol-1-yl]acetate

Drug info:

PubChemData

Smile

CCCC(CNC1CCS(=O)(=O)C1)O

DOS

IR

Vibrations