Geometry & MOs

Info

ID:	334663
PubChem CID:	127253338
Reduced:	ClSN2O8C27H27 (1)
Stoich.:	ABC2D8E27F27 (1)
Weight, g/mol:	443.136887
ΔH_f, kcal/mol:	-272.65
Dipole, Da:	3.83
IP(EA), eV:	-8.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)/C(=C/NC2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)/C(=O)[C@]14C(=O)C5=C(O4)C(=C(C=C5OC)OC)Cl

DOS

IR

Vibrations