Geometry & MOs

Info

ID:	187782
PubChem CID:	77622457
Reduced:	ClN3O4H28C32 (1)
Stoich.:	AB3C4D28E32 (1)
Weight, g/mol:	450.161329
ΔH_f, kcal/mol:	-13.17
Dipole, Da:	4.8
IP(EA), eV:	-8.82(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinolin-9-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)N=C4C=C(C=CC4=N3)CCOC5=CC=C(C=C5)N6CCOCC6)Cl

DOS

IR

Vibrations