Geometry & MOs

Info

ID:	37856
PubChem CID:	8025128
Reduced:	BrO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	381.9587
ΔH_f, kcal/mol:	-118.63
Dipole, Da:	1.69
IP(EA), eV:	-9.17(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-[(2,4-difluorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=CC=CC=C2O1)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

DOS

IR

Vibrations