Geometry & MOs

Info

ID:

110774

PubChem CID:

50339436

Reduced:

ClO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

698.379183

ΔHf, kcal/mol:

-180.04

Dipole, Da:

6.81

IP(EA), eV:

 -8.75(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamido-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C(=CC=C3)Cl)C)C

DOS

IR

Vibrations