Geometry & MOs

Info

ID:

186116

PubChem CID:

77391711

Reduced:

NH12C14 (2)

Stoich.:

AB12C14 (2)

Weight, g/mol:

728.173447

ΔHf, kcal/mol:

126.41

Dipole, Da:

3.05

IP(EA), eV:

 -8.74(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-(4-fluorophenyl)-2-[4-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxymethyl]triazol-1-yl]propanoyl]amino]-3-[[3-(2-hydroxyethoxy)phenyl]methoxy]butanoic acid

Drug info:

PubChemData

Smile

C1CNNC1C2=CC=C(C=C2)C3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6

DOS

IR

Vibrations