Geometry & MOs

Info

ID:

296936

PubChem CID:

117602006

Reduced:

ON2C11H11 (2)

Stoich.:

AB2C11D11 (2)

Weight, g/mol:

595.152156

ΔHf, kcal/mol:

14.83

Dipole, Da:

1.48

IP(EA), eV:

 -8.5(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(1S)-2-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinoline-1-carbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CN5CCOCC5

DOS

IR

Vibrations