Geometry & MOs

Info

ID:	73864
PubChem CID:	48420840
Reduced:	ClN3O5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	376.039689
ΔH_f, kcal/mol:	-110.64
Dipole, Da:	4.54
IP(EA), eV:	-9.64(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 4-carbamoylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)COC1=CC=C(C=C1)C(=O)OC(CN2C=NC=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations