Geometry & MOs

Info

ID:	230046
PubChem CID:	87569940
Reduced:	SN2O9C19H26 (1)
Stoich.:	AB2C9D19E26 (1)
Weight, g/mol:	495.138341
ΔH_f, kcal/mol:	-367.33
Dipole, Da:	5.55
IP(EA), eV:	-11.01(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-(2-chloroacetyl)phenyl]pyridin-4-yl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CCCCCCCCCC(C(=O)OC1(CC(=O)NC1=O)S(=O)(=O)O)N2C(=O)C=CC2=O

DOS

IR

Vibrations