Geometry & MOs

Info

ID:

189034

PubChem CID:

77806528

Reduced:

N2O2C29H34 (1)

Stoich.:

A2B2C29D34 (1)

Weight, g/mol:

552.229408

ΔHf, kcal/mol:

-58.8

Dipole, Da:

3.48

IP(EA), eV:

 -8.86(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[benzylsulfonyl(methyl)amino]-3-prop-2-enyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] 2-methoxyacetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=C(C=C2)C(=O)NC(CCCC3=CC4=C(CCC(C4)NC)C=C3)O

DOS

IR

Vibrations