Geometry & MOs

Info

ID:	224022
PubChem CID:	85337090
Reduced:	SN3O4C24H41 (1)
Stoich.:	AB3C4D24E41 (1)
Weight, g/mol:	467.124798
ΔH_f, kcal/mol:	-187.48
Dipole, Da:	2.61
IP(EA), eV:	-8.63(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-8-[hydroxy(methoxy)methyl]-3-(5-methoxy-1H-indole-2-carbonyl)-2,9b-dihydro-1H-pyrrolo[3,2-f]quinolin-5-one

Drug info:

PubChemData

Smile

CCCN(CCCCN1CCNCCC1=O)C(C)CC2=CC=C(C=C2)OS(=O)(=O)C(C)C

DOS

IR

Vibrations