Geometry & MOs

Info

ID:	335170
PubChem CID:	127254031
Reduced:	ClNO6C24H26 (1)
Stoich.:	ABC6D24E26 (1)
Weight, g/mol:	381.078327
ΔH_f, kcal/mol:	-151.76
Dipole, Da:	2.16
IP(EA), eV:	-8.42(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)thiourea

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC(C)CCC4=CC=CO4

DOS

IR

Vibrations