Geometry & MOs

Info

ID:	364041
PubChem CID:	127313712
Reduced:	FO2N5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-75.51
Dipole, Da:	2.15
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzoyl-1,3-thiazolidin-4-yl)-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2=CC=CC=C2F)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations