Geometry & MOs

Info

ID:	149990
PubChem CID:	53789673
Reduced:	S2N8O12H28C29 (1)
Stoich.:	A2B8C12D28E29 (1)
Weight, g/mol:	702.365585
ΔH_f, kcal/mol:	-317.19
Dipole, Da:	7.46
IP(EA), eV:	-9.01(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluorodecan-2-yl 3-fluoro-4-[4-(5-undecoxypyrimidin-2-yl)benzoyl]oxybenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC2=CC(=O)C(=O)C=C2N1)C(=O)NCC3=C(N4C(C(C4=O)NC(=O)C(=NOC(C)(C)C(=O)O)C5=CSC(=N5)N)SC3)C(=O)O

DOS

IR

Vibrations