Geometry & MOs

Info

ID:

177274

PubChem CID:

76159092

Reduced:

N3O5C28H41 (1)

Stoich.:

A3B5C28D41 (1)

Weight, g/mol:

571.37337

ΔHf, kcal/mol:

-199.52

Dipole, Da:

5.06

IP(EA), eV:

 -8.69(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclohexyl-15-(cyclohexylcarbamoylamino)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C(COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(CC1OC)C)C)C(=O)C4CCCCC4

DOS

IR

Vibrations