Geometry & MOs

Info

ID:

59526

PubChem CID:

24875248

Reduced:

F3N3O4C25H28 (1)

Stoich.:

A3B3C4D25E28 (1)

Weight, g/mol:

622.201474

ΔHf, kcal/mol:

-304.45

Dipole, Da:

4.58

IP(EA), eV:

 -8.85(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-1-oxo-1-[[(3R)-2-oxo-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-[2-(trifluoromethoxy)phenyl]propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2CC[C@H](C1=O)NC(=O)[C@@H](CC3=CC=CC=C3OC(F)(F)F)NC(=O)C

DOS

IR

Vibrations