Geometry & MOs

Info

ID:

96128

PubChem CID:

50019066

Reduced:

FO4N5C37H46 (1)

Stoich.:

AB4C5D37E46 (1)

Weight, g/mol:

721.2639

ΔHf, kcal/mol:

-199.43

Dipole, Da:

5.08

IP(EA), eV:

 -8.64(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C)C

DOS

IR

Vibrations