Geometry & MOs

Info

ID:

99913

PubChem CID:

50056211

Reduced:

FO5N6C37H37 (1)

Stoich.:

AB5C6D37E37 (1)

Weight, g/mol:

642.316583

ΔHf, kcal/mol:

-173.93

Dipole, Da:

9.46

IP(EA), eV:

 -8.58(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-methoxy-4-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-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)NCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations