Geometry & MOs

Info

ID:	230383
PubChem CID:	87570757
Reduced:	O3N6H16C17 (1)
Stoich.:	A3B6C16D17 (1)
Weight, g/mol:	467.143426
ΔH_f, kcal/mol:	67.56
Dipole, Da:	4.36
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-amino-3-(6-chloropyridin-2-yl)phenyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=NC=C(N=C32)C4C5=CC=CC=C5OO4)N

DOS

IR

Vibrations