Geometry & MOs

Info

ID:

237745

PubChem CID:

92721241

Reduced:

SN2O4C23H26 (1)

Stoich.:

AB2C4D23E26 (1)

Weight, g/mol:

387.198048

ΔHf, kcal/mol:

-92.72

Dipole, Da:

9.0

IP(EA), eV:

 -8.95(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1=C(S(=O)(=O)N=C1N[C@@H](C)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations