Geometry & MOs

Info

ID:

176559

PubChem CID:

76066267

Reduced:

NOCl4C15H17 (1)

Stoich.:

ABC4D15E17 (1)

Weight, g/mol:

678.211726

ΔHf, kcal/mol:

-61.96

Dipole, Da:

4.81

IP(EA), eV:

 -9.66(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[tert-butyl(dimethyl)silyl]oxy-3-(cyclopropylmethyl)-4a-hydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-1-(3,4-dichlorophenyl)methanesulfonamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)NC(=O)C2C(C2(Cl)Cl)(C)CCCl

DOS

IR

Vibrations