Geometry & MOs

Info

ID:	79589
PubChem CID:	49829638
Reduced:	FN2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	409.084076
ΔH_f, kcal/mol:	-190.16
Dipole, Da:	3.18
IP(EA), eV:	-9.58(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@@]2(C(=O)N(C(=O)N2)CC(COCC3=CC=CC=C3F)O)C

DOS

IR

Vibrations