Geometry & MOs

Info

ID:

93661

PubChem CID:

49995939

Reduced:

N3O3C20H28 (2)

Stoich.:

A3B3C20D28 (2)

Weight, g/mol:

750.410483

ΔHf, kcal/mol:

-268.17

Dipole, Da:

1.97

IP(EA), eV:

 -8.64(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-5-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5C)C

DOS

IR

Vibrations