Geometry & MOs

Info

ID:	131758
PubChem CID:	51259129
Reduced:	SO4N5C17H23 (1)
Stoich.:	AB4C5D17E23 (1)
Weight, g/mol:	313.157246
ΔH_f, kcal/mol:	-99.72
Dipole, Da:	8.24
IP(EA), eV:	-9.1(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=NN2CC3CCCO3)C

DOS

IR

Vibrations