Geometry & MOs

Info

ID:

112981

PubChem CID:

50427939

Reduced:

ClO5N6C42H45 (1)

Stoich.:

AB5C6D42E45 (1)

Weight, g/mol:

654.316583

ΔHf, kcal/mol:

-155.81

Dipole, Da:

10.69

IP(EA), eV:

 -8.61(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-methoxyphenyl)-1-[1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6)Cl

DOS

IR

Vibrations