Geometry & MOs

Info

ID:

80083

PubChem CID:

49832774

Reduced:

ClO3N5H14C21 (1)

Stoich.:

AB3C5D14E21 (1)

Weight, g/mol:

491.165663

ΔHf, kcal/mol:

-18.82

Dipole, Da:

4.58

IP(EA), eV:

 -8.15(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3S)-6-[[(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=CC(=O)N3C(=C(C(=O)N3)C(=O)NC4=CC=CC5=C4C=CN5)N2

DOS

IR

Vibrations