Geometry & MOs

Info

ID:	236514
PubChem CID:	92713729
Reduced:	FN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	493.062983
ΔH_f, kcal/mol:	-81.29
Dipole, Da:	3.32
IP(EA), eV:	-8.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations