Geometry & MOs

Info

ID:

112001

PubChem CID:

50390926

Reduced:

ClO4N5C37H50 (1)

Stoich.:

AB4C5D37E50 (1)

Weight, g/mol:

532.341341

ΔHf, kcal/mol:

-200.68

Dipole, Da:

5.64

IP(EA), eV:

 -8.79(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5CCCCC5)C

DOS

IR

Vibrations