Geometry & MOs

Info

ID:	334912
PubChem CID:	127253718
Reduced:	ClSN3O6H26C27 (1)
Stoich.:	ABC3D6E26F27 (1)
Weight, g/mol:	439.141973
ΔH_f, kcal/mol:	-140.35
Dipole, Da:	8.64
IP(EA), eV:	-8.59(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=C(C=CC(=C4)C5=CSC(=N5)NC)OC

DOS

IR

Vibrations