Geometry & MOs

Info

ID:

305356

PubChem CID:

124772058

Reduced:

SO2N4C25H30 (1)

Stoich.:

AB2C4D25E30 (1)

Weight, g/mol:

417.208613

ΔHf, kcal/mol:

-29.77

Dipole, Da:

3.19

IP(EA), eV:

 -8.64(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-10-(3-methoxypropyl)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)[C@]2(CN3C4=C(C=C3C(=O)N2CC5=CN=CC=C5)SC=C4)C

DOS

IR

Vibrations