Geometry & MOs

Info

ID:

105612

PubChem CID:

50130609

Reduced:

O5N6C39H54 (1)

Stoich.:

A5B6C39D54 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-232.28

Dipole, Da:

5.58

IP(EA), eV:

 -8.43(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-[(2-fluorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C)NC(=O)C5CCCCC5)C

DOS

IR

Vibrations