Geometry & MOs

Info

ID:

110274

PubChem CID:

50318526

Reduced:

F2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

754.304574

ΔHf, kcal/mol:

-258.93

Dipole, Da:

5.23

IP(EA), eV:

 -8.86(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC4=C(C=C(C=C4)F)F)C(=O)NC(C)C

DOS

IR

Vibrations