Geometry & MOs

Info

ID:

107543

PubChem CID:

50208162

Reduced:

N5O5C37H53 (1)

Stoich.:

A5B5C37D53 (1)

Weight, g/mol:

631.409755

ΔHf, kcal/mol:

-235.33

Dipole, Da:

5.14

IP(EA), eV:

 -8.3(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C)OC)C

DOS

IR

Vibrations