Geometry & MOs

Info

ID:	195416
PubChem CID:	78683565
Reduced:	NO6C24H29 (1)
Stoich.:	AB6C24D29 (1)
Weight, g/mol:	377.083413
ΔH_f, kcal/mol:	-260.18
Dipole, Da:	2.81
IP(EA), eV:	-9.56(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

DOS

IR

Vibrations