Geometry & MOs

Info

ID:

115299

PubChem CID:

50517492

Reduced:

ClO4N5C32H44 (1)

Stoich.:

AB4C5D32E44 (1)

Weight, g/mol:

770.340353

ΔHf, kcal/mol:

-195.81

Dipole, Da:

6.66

IP(EA), eV:

 -8.67(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3,4-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations