Geometry & MOs

Info

ID:

304881

PubChem CID:

124766270

Reduced:

N2S2O6C25H30 (1)

Stoich.:

A2B2C6D25E30 (1)

Weight, g/mol:

427.247107

ΔHf, kcal/mol:

-166.51

Dipole, Da:

2.68

IP(EA), eV:

 -9.31(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5R,6S,7R)-6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(C[C@H]3CCCO3)CC4=CC=CO4

DOS

IR

Vibrations