Geometry & MOs

Info

ID:	193001
PubChem CID:	78336122
Reduced:	SN4O9C18H20 (1)
Stoich.:	AB4C9D18E20 (1)
Weight, g/mol:	414.215472
ΔH_f, kcal/mol:	-279.25
Dipole, Da:	7.84
IP(EA), eV:	-8.96(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(OC(C1OC(=O)C)N2C=NC3C2=NC=NC3=S)C(=O)OC)OC(=O)C

DOS

IR

Vibrations