Geometry & MOs

Info

ID:

112590

PubChem CID:

50412464

Reduced:

ClO4N5C27H34 (1)

Stoich.:

AB4C5D27E34 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-153.15

Dipole, Da:

8.62

IP(EA), eV:

 -8.73(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(2-methylbutanoylamino)phenyl]-1-[1-[2-methyl-3-(methylcarbamoyl)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=C(C=C(C=C3)Cl)C(=O)N(C)C)C(=O)NC

DOS

IR

Vibrations