Geometry & MOs

Info

ID:	43266
PubChem CID:	10320438
Reduced:	SN3O3H19C24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	430.126382
ΔH_f, kcal/mol:	27.6
Dipole, Da:	3.79
IP(EA), eV:	-8.91(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R,7R)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC#CC2=CC3=C(C=CN(C3=O)CC4=CC=C(C=C4)S(=O)(=O)N)C=N2

DOS

IR

Vibrations