Geometry & MOs

Info

ID:	43666
PubChem CID:	10321616
Reduced:	FSN4O5C20H25 (1)
Stoich.:	ABC4D5E20F25 (1)
Weight, g/mol:	452.184841
ΔH_f, kcal/mol:	-209.29
Dipole, Da:	3.38
IP(EA), eV:	-9.12(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-(4-methoxyphenyl)-2-oxoethyl]-8-phenyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1C[C@H]([C@@H](C1)OC2=CC(=CC(=C2)NC(=O)NC3=CN=C(C=C3)C)F)OC

DOS

IR

Vibrations