Geometry & MOs

Info

ID:	378705
PubChem CID:	134224800
Reduced:	INO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	460.167747
ΔH_f, kcal/mol:	-97.78
Dipole, Da:	5.51
IP(EA), eV:	-9.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[(E)-N-[1-(oxan-4-ylamino)ethenyl]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCCC(C)(CCCCCC1=C(C=C(N=C1)C)C(=O)O)I

DOS

IR

Vibrations