Geometry & MOs

Info

ID:

91519

PubChem CID:

49976615

Reduced:

N6O7C37H50 (1)

Stoich.:

A6B7C37D50 (1)

Weight, g/mol:

702.410483

ΔHf, kcal/mol:

-289.33

Dipole, Da:

12.82

IP(EA), eV:

 -8.97(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations