Geometry & MOs

Info

ID:	132198
PubChem CID:	51319369
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	350.126657
ΔH_f, kcal/mol:	21.35
Dipole, Da:	2.18
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(N2CC3=CC=CO3)SC(C4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations