Geometry & MOs

Info

ID:

441477

PubChem CID:

135235187

Reduced:

ClO3N7C28H34 (1)

Stoich.:

AB3C7D28E34 (1)

Weight, g/mol:

519.160418

ΔHf, kcal/mol:

-42.15

Dipole, Da:

7.67

IP(EA), eV:

 -8.64(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,3S)-2-ethyl-7-fluoro-4-oxo-5-(1,2,2-trifluoroethyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]-2-hydroxy-2-[hydroxy-(2,2,2-trifluoroethylamino)methyl]butanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC1=CC=C(C=C1)NC(=O)CN(CC2=CC=CC=N2)CC3=CC=CC=N3)NC(=O)[C@@H](C)NCl

DOS

IR

Vibrations