Geometry & MOs

Info

ID:	332086
PubChem CID:	127250372
Reduced:	ClSO2N3H20C24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	447.134969
ΔH_f, kcal/mol:	8.15
Dipole, Da:	3.75
IP(EA), eV:	-9.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-1H-indol-2-yl)-[2-[5-(3-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCOC(C3)C4=NC=C(C=C4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations