Geometry & MOs

Info

ID:	175104
PubChem CID:	75855861
Reduced:	SO3N4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	461.098017
ΔH_f, kcal/mol:	-26.36
Dipole, Da:	9.09
IP(EA), eV:	-8.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-dithiolan-2-yl)phenyl]-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC(C)C3=NN=C(O3)C4=CC=CC=C4)N)C

DOS

IR

Vibrations