Geometry & MOs

Info

ID:

43840

PubChem CID:

10321867

Reduced:

F2N3O4C24H25 (1)

Stoich.:

A2B3C4D24E25 (1)

Weight, g/mol:

457.181313

ΔHf, kcal/mol:

-208.41

Dipole, Da:

7.11

IP(EA), eV:

 -9.35(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(6S)-1-methyl-7-oxo-4-phenyl-3,6-dihydro-2H-azepin-6-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H]1[C@H](C=CCN(C1=O)C)C2=CC=CC=C2)NC(=O)[C@H](C3=CC(=CC(=C3)F)F)O

DOS

IR

Vibrations