Geometry & MOs

Info

ID:	176815
PubChem CID:	76102368
Reduced:	NCl2H3O3C8 (1)
Stoich.:	AB2C3D3E8 (1)
Weight, g/mol:	407.205636
ΔH_f, kcal/mol:	-74.5
Dipole, Da:	8.05
IP(EA), eV:	-11.2(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylbut-2-enoyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

C1=CC2=NC(=O)OC(=O)C2=C(C1Cl)Cl

DOS

IR

Vibrations