Geometry & MOs

Info

ID:

440107

PubChem CID:

135230007

Reduced:

SN2H40C55 (1)

Stoich.:

AB2C40D55 (1)

Weight, g/mol:

825.299691

ΔHf, kcal/mol:

288.35

Dipole, Da:

3.06

IP(EA), eV:

 -6.86(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[[4-(carboxymethylcarbamoyl)-3,5-difluorophenyl]methyl-(4,4-dimethylpentanoyl)amino]methyl]-2,6-difluorobenzoyl]amino]-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3N(C4=CC=CC=C42)C5=CC=CC=C5)C6=CC=C(C=C6)N7C8=CC=CC=C8S(C9=CC=CC=C97)(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations