Geometry & MOs

Info

ID:	338458
PubChem CID:	127259150
Reduced:	O6C15H16 (1)
Stoich.:	A6B15C16 (1)
Weight, g/mol:	202.052447
ΔH_f, kcal/mol:	-208.82
Dipole, Da:	3.07
IP(EA), eV:	-8.78(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C2C(=C1OC)C=CO2)OCCOC(=O)C

DOS

IR

Vibrations