Geometry & MOs

Info

ID:

100264

PubChem CID:

50059584

Reduced:

N5O5C33H39 (1)

Stoich.:

A5B5C33D39 (1)

Weight, g/mol:

647.291926

ΔHf, kcal/mol:

-162.69

Dipole, Da:

8.58

IP(EA), eV:

 -8.21(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C(C)C)OC

DOS

IR

Vibrations