Geometry & MOs

Info

ID:	73741
PubChem CID:	48420286
Reduced:	F2N4O6H14C15 (1)
Stoich.:	A2B4C6D14E15 (1)
Weight, g/mol:	320.094312
ΔH_f, kcal/mol:	-178.95
Dipole, Da:	9.09
IP(EA), eV:	-10.18(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)/C=C/C(=O)OCCN2C=NC=N2)[N+](=O)[O-])OC(F)F

DOS

IR

Vibrations