Geometry & MOs

Info

ID:

99553

PubChem CID:

50051330

Reduced:

FN6O6C41H51 (1)

Stoich.:

AB6C6D41E51 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-281.91

Dipole, Da:

8.89

IP(EA), eV:

 -8.83(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-fluoro-5-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)C)C

DOS

IR

Vibrations