Geometry & MOs

Info

ID:	49332
PubChem CID:	11532864
Reduced:	O2F3N6H19C23 (1)
Stoich.:	A2B3C6D19E23 (1)
Weight, g/mol:	468.160912
ΔH_f, kcal/mol:	-135.32
Dipole, Da:	3.63
IP(EA), eV:	-8.75(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-6-[3-fluoro-4-[[4-(pyrimidine-5-carbonylamino)butanoylamino]methyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=NC4=CN=C(N=C4N(C3=O)C)NC

DOS

IR

Vibrations