Geometry & MOs

Info

ID:

17275

PubChem CID:

491237

Reduced:

SF3N4O6H27C28 (1)

Stoich.:

AB3C4D6E27F28 (1)

Weight, g/mol:

604.16034

ΔHf, kcal/mol:

-312.72

Dipole, Da:

12.29

IP(EA), eV:

 -9.19(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)NS(=O)(=O)C(F)(F)F)C(=O)O)N=C2C5=COC=C5

DOS

IR

Vibrations