Geometry & MOs

Info

ID:

59550

PubChem CID:

24875287

Reduced:

ON2C8H8 (2)

Stoich.:

AB2C8D8 (2)

Weight, g/mol:

639.196804

ΔHf, kcal/mol:

4.26

Dipole, Da:

6.92

IP(EA), eV:

 -9.23(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-fluoro-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)benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CNN3C2=NC(=O)C4=CC=CC=C43

DOS

IR

Vibrations