Geometry & MOs

Info

ID:	443126
PubChem CID:	135257779
Reduced:	SN3F5O7H26C29 (1)
Stoich.:	AB3C5D7E26F29 (1)
Weight, g/mol:	526.207942
ΔH_f, kcal/mol:	-366.11
Dipole, Da:	6.69
IP(EA), eV:	-9.14(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(6-cyclohexylpyridin-3-yl)methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(CC1=CC=C(C=C1)C2CCOCC2)C3=CC(=C(C=C3)C(=O)N=O)O)N(C)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations