Geometry & MOs

Info

ID:	376134
PubChem CID:	134222137
Reduced:	OF4H18C20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	518.146931
ΔH_f, kcal/mol:	-207.9
Dipole, Da:	5.16
IP(EA), eV:	-9.69(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[3,5-bis(4-amino-2-oxopyrimidin-1-yl)-4-chlorophenyl]but-1-enyl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C)C(/C=C/C2=CC(=C(C=C2)C=O)C)C(F)(F)F

DOS

IR

Vibrations