Geometry & MOs

Info

ID:

112512

PubChem CID:

50409718

Reduced:

FO5N6C42H47 (1)

Stoich.:

AB5C6D42E47 (1)

Weight, g/mol:

643.353383

ΔHf, kcal/mol:

-209.66

Dipole, Da:

6.71

IP(EA), eV:

 -8.52(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations