Geometry & MOs

Info

ID:

91123

PubChem CID:

49973452

Reduced:

FN6O7C39H45 (1)

Stoich.:

AB6C7D39E45 (1)

Weight, g/mol:

700.394833

ΔHf, kcal/mol:

-284.19

Dipole, Da:

8.12

IP(EA), eV:

 -8.77(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC(=CC=C6)OC)F

DOS

IR

Vibrations