Geometry & MOs

Info

ID:

110388

PubChem CID:

50322707

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

669.276276

ΔHf, kcal/mol:

-189.26

Dipole, Da:

4.29

IP(EA), eV:

 -8.91(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(4-methoxybenzoyl)amino]phenyl]-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4F)C)NC(=O)C(C)C

DOS

IR

Vibrations