Geometry & MOs

Info

ID:

43839

PubChem CID:

10321866

Reduced:

FN3O4H20C26 (1)

Stoich.:

AB3C4D20E26 (1)

Weight, g/mol:

457.181313

ΔHf, kcal/mol:

-95.01

Dipole, Da:

5.44

IP(EA), eV:

 -8.77(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(=O)C(N=C(C3=CC=CC1=C32)C4=CC=CC=C4F)NC(=O)/C=C/C5=CC(=C(C=C5)O)O

DOS

IR

Vibrations