Geometry & MOs

Info

ID:	195711
PubChem CID:	78726468
Reduced:	NSO5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	408.168522
ΔH_f, kcal/mol:	-191.29
Dipole, Da:	5.43
IP(EA), eV:	-9.67(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

DOS

IR

Vibrations