Geometry & MOs

Info

ID:

105793

PubChem CID:

50139512

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

605.281361

ΔHf, kcal/mol:

-177.76

Dipole, Da:

8.95

IP(EA), eV:

 -8.79(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[(3-fluorobenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NCC(C)C)C)F

DOS

IR

Vibrations