Geometry & MOs

Info

ID:	443152
PubChem CID:	135257857
Reduced:	FN2O3C25H31 (1)
Stoich.:	AB2C3D25E31 (1)
Weight, g/mol:	619.234571
ΔH_f, kcal/mol:	-146.05
Dipole, Da:	4.69
IP(EA), eV:	-9.28(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[(4-cyclohexylphenyl)methyl-(2,2,2-trifluoroacetyl)amino]-5-fluoro-2-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

CCNCC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=C(C=C(C=C3)C(=O)OC)F

DOS

IR

Vibrations