Geometry & MOs

Info

ID:

59552

PubChem CID:

24875289

Reduced:

BrF3N3O4H29C30 (1)

Stoich.:

AB3C3D4E29F30 (1)

Weight, g/mol:

641.19361

ΔHf, kcal/mol:

-269.61

Dipole, Da:

5.83

IP(EA), eV:

 -8.88(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-methyl-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]-2-(trifluoromethyl)propanamide

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)C4=CC=CC=C4Br

DOS

IR

Vibrations