Geometry & MOs

Info

ID:	334478
PubChem CID:	127253153
Reduced:	SN5O7C38H41 (1)
Stoich.:	AB5C7D38E41 (1)
Weight, g/mol:	415.141973
ΔH_f, kcal/mol:	-115.58
Dipole, Da:	4.07
IP(EA), eV:	-7.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(furan-2-yl)propyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)OC)C3=CSC(=N3)NC(=O)CCCNC4=CC=C5C(=CC4=O)[C@H](CCC6=CC(=C(C(=C65)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations