Geometry & MOs

Info

ID:	55992
PubChem CID:	17398258
Reduced:	SO2N5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	353.131031
ΔH_f, kcal/mol:	88.16
Dipole, Da:	4.69
IP(EA), eV:	-8.78(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)CSC4=NC=CN4C

DOS

IR

Vibrations