Geometry & MOs

Info

ID:	150302
PubChem CID:	53789990
Reduced:	ClNOF3H13C18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	714.631482
ΔH_f, kcal/mol:	-131.93
Dipole, Da:	4.95
IP(EA), eV:	-10.24(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

40-hydroxy-2,6,10,14,18,22,26,30,34,38-decamethyltetraconta-2,6,10,14,22,26,30,34,38-nonaen-19-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C(CCC2=CC=C(C=C2)C(F)(F)F)(C#N)Cl

DOS

IR

Vibrations