Geometry & MOs

Info

ID:

223850

PubChem CID:

85335656

Reduced:

SN6O7C28H40 (1)

Stoich.:

AB6C7D28E40 (1)

Weight, g/mol:

601.315186

ΔHf, kcal/mol:

-199.5

Dipole, Da:

4.46

IP(EA), eV:

 -9.15(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[1-(4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)pyrrolidin-3-yl]oxyethoxy]ethyl]-4-ethenylbenzamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)C5NNNN5

DOS

IR

Vibrations