Geometry & MOs

Info

ID:	443147
PubChem CID:	135257844
Reduced:	N4O5C21H34 (1)
Stoich.:	A4B5C21D34 (1)
Weight, g/mol:	654.182299
ΔH_f, kcal/mol:	-191.2
Dipole, Da:	5.51
IP(EA), eV:	-8.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyclohexylphenyl)methyl-[2-methyl-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanoyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CCCCNC1=NC(=NC=C1OCC#C)N(C(O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations