Geometry & MOs

Info

ID:

187493

PubChem CID:

77580294

Reduced:

SN5O6C33H39 (1)

Stoich.:

AB5C6D33E39 (1)

Weight, g/mol:

589.409086

ΔHf, kcal/mol:

-138.79

Dipole, Da:

8.6

IP(EA), eV:

 -9.44(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3a-(decoxymethyl)-2,2-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-methylphenyl)carbamate

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CNCC(C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)C(=O)NC(C)C4=CC=CC=C4)N(C)S(=O)(=O)C)O

DOS

IR

Vibrations