Geometry & MOs

Info

ID:

103602

PubChem CID:

50071887

Reduced:

ClN6O6C37H43 (1)

Stoich.:

AB6C6D37E43 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-215.95

Dipole, Da:

3.07

IP(EA), eV:

 -8.7(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-methyl-4-(propanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations