Geometry & MOs

Info

ID:

188987

PubChem CID:

77797396

Reduced:

Cl2N2O5C31H36 (1)

Stoich.:

A2B2C5D31E36 (1)

Weight, g/mol:

654.13992

ΔHf, kcal/mol:

-197.37

Dipole, Da:

6.54

IP(EA), eV:

 -8.57(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4a-acetyloxy-7-[3-(4-bromothiophen-2-yl)prop-2-enoyl-methylamino]-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC2C3CC4=C5C2(C1OC5=C(C=C4O)OC(=O)C)CCN3C)C(=O)CC6=CC(=C(C=C6)Cl)Cl

DOS

IR

Vibrations