Geometry & MOs

Info

ID:	147876
PubChem CID:	53787534
Reduced:	N4O11C26H44 (1)
Stoich.:	A4B11C26D44 (1)
Weight, g/mol:	682.395743
ΔH_f, kcal/mol:	-576.39
Dipole, Da:	4.44
IP(EA), eV:	-10.14(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1,1-trifluoro-4-oxopentadecan-2-yl) 4-[5-(4-octoxyphenyl)pyrimidin-2-yl]benzoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations