Geometry & MOs

Info

ID:	33742
PubChem CID:	7887912
Reduced:	OS2F3N3C14H14 (1)
Stoich.:	AB2C3D3E14F14 (1)
Weight, g/mol:	394.092204
ΔH_f, kcal/mol:	-164.71
Dipole, Da:	4.37
IP(EA), eV:	-8.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NCC(F)(F)F

DOS

IR

Vibrations