Geometry & MOs

Info

ID:

104318

PubChem CID:

50104016

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-219.53

Dipole, Da:

7.17

IP(EA), eV:

 -8.68(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

DOS

IR

Vibrations