Geometry & MOs

Info

ID:

94267

PubChem CID:

49999328

Reduced:

ClO5N6C42H57 (1)

Stoich.:

AB5C6D42E57 (1)

Weight, g/mol:

748.371511

ΔHf, kcal/mol:

-239.78

Dipole, Da:

10.57

IP(EA), eV:

 -8.64(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6C)C)Cl

DOS

IR

Vibrations