Geometry & MOs

Info

ID:

110861

PubChem CID:

50342215

Reduced:

N5O5C34H41 (1)

Stoich.:

A5B5C34D41 (1)

Weight, g/mol:

704.349775

ΔHf, kcal/mol:

-170.76

Dipole, Da:

6.46

IP(EA), eV:

 -8.78(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)OC)C

DOS

IR

Vibrations