Geometry & MOs

Info

ID:	33568
PubChem CID:	7887019
Reduced:	N3O6C19H21 (1)
Stoich.:	A3B6C19D21 (1)
Weight, g/mol:	414.153934
ΔH_f, kcal/mol:	-175.92
Dipole, Da:	5.04
IP(EA), eV:	-8.88(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)CN2C(=O)N(C(=O)N(C2=O)CC=C)CC=C)OC

DOS

IR

Vibrations