Geometry & MOs

Info

ID:

95862

PubChem CID:

50015966

Reduced:

O5N6C35H50 (1)

Stoich.:

A5B6C35D50 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-235.28

Dipole, Da:

2.25

IP(EA), eV:

 -8.13(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-fluorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)C)C

DOS

IR

Vibrations