Geometry & MOs

Info

ID:

91549

PubChem CID:

49976846

Reduced:

N6O6C37H52 (1)

Stoich.:

A6B6C37D52 (1)

Weight, g/mol:

716.426134

ΔHf, kcal/mol:

-262.74

Dipole, Da:

8.61

IP(EA), eV:

 -8.72(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-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=CC=CC(=C4C)C(=O)NCC(C)C

DOS

IR

Vibrations