Geometry & MOs

Info

ID:	29658
PubChem CID:	836218
Reduced:	SN2O2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	254.069142
ΔH_f, kcal/mol:	-6.62
Dipole, Da:	3.28
IP(EA), eV:	-8.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-imidazol-1-ylphenyl) furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations