Geometry & MOs

Info

ID:

59499

PubChem CID:

24875157

Reduced:

O3N5C19H23 (1)

Stoich.:

A3B5C19D23 (1)

Weight, g/mol:

622.201474

ΔHf, kcal/mol:

-66.32

Dipole, Da:

8.75

IP(EA), eV:

 -9.3(-1.26)

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]-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NCC1=CNN2C1=NC(=O)C3=CC=CC=C32)NC(=O)C

DOS

IR

Vibrations