Geometry & MOs

Info

ID:

106515

PubChem CID:

50166216

Reduced:

ClO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-198.55

Dipole, Da:

6.53

IP(EA), eV:

 -8.85(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(propanoylamino)phenyl]-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)NC4=C(C=CC(=C4)NC(=O)C(C)C)Cl)C

DOS

IR

Vibrations