Geometry & MOs

Info

ID:	194406
PubChem CID:	78531098
Reduced:	NSO5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	345.132471
ΔH_f, kcal/mol:	-164.63
Dipole, Da:	7.6
IP(EA), eV:	-9.35(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-amino-1-methyl-2,4-dioxo-1,3-diazinan-5-yl)-2-oxoethyl] 3-(4-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CC(=O)OCC(=O)N(C2CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations