Geometry & MOs

Info

ID:

95913

PubChem CID:

50016686

Reduced:

N2O2C14H19 (2)

Stoich.:

A2B2C14D19 (2)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-152.92

Dipole, Da:

5.98

IP(EA), eV:

 -8.81(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[(4-methoxybenzoyl)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

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations