Geometry & MOs

Info

ID:	273138
PubChem CID:	103770555
Reduced:	SN2O2C11H20 (1)
Stoich.:	AB2C2D11E20 (1)
Weight, g/mol:	309.125946
ΔH_f, kcal/mol:	-93.42
Dipole, Da:	3.64
IP(EA), eV:	-9.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-2-hydroxypentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)CSCC#N)O

DOS

IR

Vibrations