Geometry & MOs

Info

ID:

110720

PubChem CID:

50337597

Reduced:

ClO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

597.308183

ΔHf, kcal/mol:

-183.69

Dipole, Da:

6.49

IP(EA), eV:

 -8.72(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(2-methylbutanoylamino)phenyl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C)C(=O)NCC(C)C

DOS

IR

Vibrations