Geometry & MOs

Info

ID:

105100

PubChem CID:

50106357

Reduced:

ClO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-217.73

Dipole, Da:

4.32

IP(EA), eV:

 -9.02(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[2-chloro-5-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations