Geometry & MOs

Info

ID:	272591
PubChem CID:	103749581
Reduced:	N2O3C14H28 (1)
Stoich.:	A2B3C14D28 (1)
Weight, g/mol:	282.058675
ΔH_f, kcal/mol:	-176.43
Dipole, Da:	1.35
IP(EA), eV:	-9.15(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-2-fluorobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NCC(C)(C)CCO

DOS

IR

Vibrations