Geometry & MOs

Info

ID:	244158
PubChem CID:	99319127
Reduced:	F2N3O3H19C21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	380.129611
ΔH_f, kcal/mol:	-153.64
Dipole, Da:	3.47
IP(EA), eV:	-8.81(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations