Geometry & MOs

Info

ID:	73814
PubChem CID:	48420516
Reduced:	ClFN2O3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	340.051778
ΔH_f, kcal/mol:	-103.81
Dipole, Da:	5.1
IP(EA), eV:	-9.87(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 5-nitrothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)CCNC(=O)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations