Geometry & MOs

Info

ID:	192364
PubChem CID:	78261075
Reduced:	ON2S2C25H26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	473.183838
ΔH_f, kcal/mol:	15.09
Dipole, Da:	3.88
IP(EA), eV:	-8.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylmethyl)-1-(3-prop-2-enoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)C3CCCCC3N4C2=C(SC4=S)C5=CC=CC=C5C

DOS

IR

Vibrations