Geometry & MOs

Info

ID:	131001
PubChem CID:	51142007
Reduced:	SO2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	380.094312
ΔH_f, kcal/mol:	50.78
Dipole, Da:	5.2
IP(EA), eV:	-8.65(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)CSC3=NN=C(O3)C4=CC=CC=C4OC

DOS

IR

Vibrations