Geometry & MOs

Info

ID:	86114
PubChem CID:	49881978
Reduced:	OS2N4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	415.102434
ΔH_f, kcal/mol:	40.12
Dipole, Da:	1.7
IP(EA), eV:	-8.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)CSC3=CC=C(C=C3)C

DOS

IR

Vibrations