Geometry & MOs

Info

ID:

219071

PubChem CID:

85090442

Reduced:

ClO2N4C32H39 (1)

Stoich.:

AB2C4D32E39 (1)

Weight, g/mol:

547.214092

ΔHf, kcal/mol:

-25.45

Dipole, Da:

4.13

IP(EA), eV:

 -8.79(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-benzyl-3-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl)-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1C3CC4CCC(C3)N4CC5CC5(CN(C)C(=O)C6CCCO6)C7=CC(=CC=C7)Cl

DOS

IR

Vibrations