Geometry & MOs

Info

ID:	86223
PubChem CID:	49883096
Reduced:	S2O3N4H24C25 (1)
Stoich.:	A2B3C4D24E25 (1)
Weight, g/mol:	469.076613
ΔH_f, kcal/mol:	-7.41
Dipole, Da:	5.09
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations