Geometry & MOs

Info

ID:	188947
PubChem CID:	77791563
Reduced:	N4O4C29H32 (1)
Stoich.:	A4B4C29D32 (1)
Weight, g/mol:	616.328806
ΔH_f, kcal/mol:	-112.81
Dipole, Da:	7.88
IP(EA), eV:	-8.62(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluorooctan-2-yl 4-[5-[4-(2-fluorodecoxy)phenyl]pyrimidin-2-yl]benzoate

Drug info:

PubChemData

Smile

CCC(=O)NC1CCC2=C(C=CC(=C2)OC)N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)N

DOS

IR

Vibrations