Geometry & MOs

Info

ID:

91818

PubChem CID:

49979348

Reduced:

N6O7C39H52 (1)

Stoich.:

A6B7C39D52 (1)

Weight, g/mol:

730.405398

ΔHf, kcal/mol:

-283.59

Dipole, Da:

9.46

IP(EA), eV:

 -8.75(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexylcarbamoyl)-2-methoxyphenyl]-1-[1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCC6)OC

DOS

IR

Vibrations