Geometry & MOs

Info

ID:

107949

PubChem CID:

50224830

Reduced:

O5N6C35H50 (1)

Stoich.:

A5B6C35D50 (1)

Weight, g/mol:

638.359197

ΔHf, kcal/mol:

-231.6

Dipole, Da:

6.58

IP(EA), eV:

 -8.74(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-fluoro-5-(2-methylbutanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC=C3C(=O)NC(C)C)C)C

DOS

IR

Vibrations