Geometry & MOs

Info

ID:

95636

PubChem CID:

50010883

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

539.290783

ΔHf, kcal/mol:

-221.91

Dipole, Da:

5.19

IP(EA), eV:

 -8.79(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)C)F

DOS

IR

Vibrations