Geometry & MOs

Info

ID:

108556

PubChem CID:

50249602

Reduced:

ClO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-146.81

Dipole, Da:

9.55

IP(EA), eV:

 -8.66(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-methyl-3-(2-methylpropanoylamino)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)C)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations