Geometry & MOs

Info

ID:	77915
PubChem CID:	49674511
Reduced:	FOSN2H15C20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	489.172228
ΔH_f, kcal/mol:	-1.47
Dipole, Da:	1.13
IP(EA), eV:	-8.8(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,4-diethoxyphenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CSC3=C2N=CN(C3=O)CC4=CC(=CC=C4)F

DOS

IR

Vibrations