Geometry & MOs

Info

ID:	234289
PubChem CID:	92298109
Reduced:	SN3O3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-99.0
Dipole, Da:	3.72
IP(EA), eV:	-9.42(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-(2-methoxyethyl)-3-[9-methyl-2-(2-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NNC(=O)C1=CC=CS1)NC(=O)C

DOS

IR

Vibrations