Geometry & MOs

Info

ID:

119775

PubChem CID:

50700427

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-230.56

Dipole, Da:

6.97

IP(EA), eV:

 -9.09(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations