Geometry & MOs

Info

ID:

304926

PubChem CID:

124766320

Reduced:

SN3O4C25H29 (1)

Stoich.:

AB3C4D25E29 (1)

Weight, g/mol:

351.140533

ΔHf, kcal/mol:

-116.0

Dipole, Da:

3.57

IP(EA), eV:

 -8.24(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(1R,8S)-8,11,11-trimethyl-3,4,6-triazatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-5-yl]sulfanyl]-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)[C@](N2)(CCSC)C(=O)OC

DOS

IR

Vibrations