Geometry & MOs

Info

ID:

91127

PubChem CID:

49973473

Reduced:

N6O7C39H52 (1)

Stoich.:

A6B7C39D52 (1)

Weight, g/mol:

676.358448

ΔHf, kcal/mol:

-283.17

Dipole, Da:

9.15

IP(EA), eV:

 -8.68(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-5-(propylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)C

DOS

IR

Vibrations