Geometry & MOs

Info

ID:

115777

PubChem CID:

50533794

Reduced:

ClO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-234.34

Dipole, Da:

7.88

IP(EA), eV:

 -8.9(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-fluoro-3-[(4-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NCC(C)C)C

DOS

IR

Vibrations