Geometry & MOs

Info

ID:

233012

PubChem CID:

87577963

Reduced:

N6O12C55H104 (1)

Stoich.:

A6B12C55D104 (1)

Weight, g/mol:

634.167968

ΔHf, kcal/mol:

-703.64

Dipole, Da:

5.69

IP(EA), eV:

 -9.54(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-(2-fluoroethoxy)phenyl]-2-[[(2S)-3-methyl-2-[4-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxymethyl]triazol-1-yl]butanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCOC(=O)CCC(C(=O)OCCCCCCCCCCCCCCC)C(CC(=O)N)(C(=O)N)NC(COC(=O)CCCN)(COC(=O)CCCN)COC(=O)CCCN

DOS

IR

Vibrations