Geometry & MOs

Info

ID:

93604

PubChem CID:

49995648

Reduced:

N6O6C43H56 (1)

Stoich.:

A6B6C43D56 (1)

Weight, g/mol:

738.410483

ΔHf, kcal/mol:

-247.48

Dipole, Da:

5.0

IP(EA), eV:

 -8.11(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamido-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)C)OC

DOS

IR

Vibrations