Geometry & MOs

Info

ID:	445682
PubChem CID:	135268910
Reduced:	ClFO3N4C22H22 (1)
Stoich.:	ABC3D4E22F22 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-111.34
Dipole, Da:	1.37
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylphenyl) (1E)-N-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxo-5-(2-phenylethyl)pyrimidin-4-yl]ethanimidate

Drug info:

PubChemData

Smile

CN1C(N(C(=O)C2=C1N=C(N2CC3=CC=C(C=C3)F)C4=CC=CC=C4Cl)CCCO)O

DOS

IR

Vibrations