Geometry & MOs

Info

ID:	209966
PubChem CID:	80743598
Reduced:	NSO3C9H13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-109.01
Dipole, Da:	1.52
IP(EA), eV:	-8.89(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(SC=C1)C(=O)NCCCO

DOS

IR

Vibrations