Geometry & MOs

Info

ID:

93456

PubChem CID:

49994968

Reduced:

N5O5C34H47 (1)

Stoich.:

A5B5C34D47 (1)

Weight, g/mol:

604.337319

ΔHf, kcal/mol:

-224.02

Dipole, Da:

12.35

IP(EA), eV:

 -8.54(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-carbamoylanilino)-2-oxoethyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C)OC

DOS

IR

Vibrations