Geometry & MOs

Info

ID:	196355
PubChem CID:	78814863
Reduced:	SF2N2O4C17H18 (1)
Stoich.:	AB2C2D4E17F18 (1)
Weight, g/mol:	429.125946
ΔH_f, kcal/mol:	-203.78
Dipole, Da:	5.43
IP(EA), eV:	-9.51(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)OC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations