Geometry & MOs

Info

ID:	443129
PubChem CID:	135257782
Reduced:	SN3F5O5H24C27 (1)
Stoich.:	AB3C5D5E24F27 (1)
Weight, g/mol:	430.225643
ΔH_f, kcal/mol:	-322.87
Dipole, Da:	2.97
IP(EA), eV:	-9.54(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(6-cyclohexylpyridin-3-yl)methylamino]-2-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

C1COCCC1C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)NO)O)C(=O)CNSC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations