Geometry & MOs

Info

ID:

109397

PubChem CID:

50282895

Reduced:

ClO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

583.315855

ΔHf, kcal/mol:

-193.12

Dipole, Da:

8.79

IP(EA), eV:

 -8.55(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-methylanilino)-3-oxopropyl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5CCCC5)C

DOS

IR

Vibrations