Geometry & MOs

Info

ID:	376191
PubChem CID:	134222196
Reduced:	ClF3H18C19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	505.188067
ΔH_f, kcal/mol:	-141.57
Dipole, Da:	4.24
IP(EA), eV:	-8.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[3-(4-amino-2-oxopyrimidin-1-yl)-5-chlorophenyl]but-1-enyl]-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(C2=CC(=CC(=C2)C)Cl)C(F)(F)F)C

DOS

IR

Vibrations