Geometry & MOs

Info

ID:

106255

PubChem CID:

50154872

Reduced:

O4N5C35H47 (1)

Stoich.:

A4B5C35D47 (1)

Weight, g/mol:

615.378455

ΔHf, kcal/mol:

-183.17

Dipole, Da:

5.85

IP(EA), eV:

 -8.72(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-6-[(2-methylcyclohexyl)carbamoyl]phenyl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2CCCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCCCC5)C

DOS

IR

Vibrations