Geometry & MOs

Info

ID:

93698

PubChem CID:

49996117

Reduced:

ClO5N6C41H55 (1)

Stoich.:

AB5C6D41E55 (1)

Weight, g/mol:

722.415569

ΔHf, kcal/mol:

-237.8

Dipole, Da:

11.32

IP(EA), eV:

 -8.7(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6C)C

DOS

IR

Vibrations