Geometry & MOs

Info

ID:

103881

PubChem CID:

50080745

Reduced:

O5N6C35H42 (1)

Stoich.:

A5B6C35D42 (1)

Weight, g/mol:

770.340353

ΔHf, kcal/mol:

-161.36

Dipole, Da:

7.63

IP(EA), eV:

 -8.53(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)N(C)C

DOS

IR

Vibrations