Geometry & MOs

Info

ID:

310790

PubChem CID:

126587524

Reduced:

O3N4H20C21 (1)

Stoich.:

A3B4C20D21 (1)

Weight, g/mol:

671.259128

ΔHf, kcal/mol:

-46.65

Dipole, Da:

2.48

IP(EA), eV:

 -8.73(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[3-(2,3-dimethylphenyl)-5-[2-methyl-3-(propoxycarbonylamino)phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=CC3=C(C(=C2)OCC4=NC=CN=C4)NC(=O)CC3

DOS

IR

Vibrations