Geometry & MOs

Info

ID:	334300
PubChem CID:	127252852
Reduced:	SN5O7C32H39 (1)
Stoich.:	AB5C7D32E39 (1)
Weight, g/mol:	453.157623
ΔH_f, kcal/mol:	-163.73
Dipole, Da:	13.75
IP(EA), eV:	-8.77(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=NC(=CS1)CC(=O)N)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations