Geometry & MOs

Info

ID:

115524

PubChem CID:

50526270

Reduced:

ClN6O6C32H43 (1)

Stoich.:

AB6C6D32E43 (1)

Weight, g/mol:

583.292532

ΔHf, kcal/mol:

-257.0

Dipole, Da:

7.56

IP(EA), eV:

 -8.25(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C)OC

DOS

IR

Vibrations