Geometry & MOs

Info

ID:

110658

PubChem CID:

50334285

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

563.310769

ΔHf, kcal/mol:

-214.56

Dipole, Da:

9.66

IP(EA), eV:

 -8.7(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4)NC(=O)C

DOS

IR

Vibrations