Geometry & MOs

Info

ID:	49646
PubChem CID:	11533444
Reduced:	ClS2N3O4H20C23 (1)
Stoich.:	AB2C3D4E20F23 (1)
Weight, g/mol:	501.127776
ΔH_f, kcal/mol:	-116.23
Dipole, Da:	2.57
IP(EA), eV:	-9.07(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chlorophenyl)-3-[6-[(4-hydroxypiperidin-1-yl)methyl]naphthalen-2-yl]thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C3C4=C(CC(CC4)C(=O)N)SC3=NC(=C2Cl)CN5C(=O)CSC5=O

DOS

IR

Vibrations