Geometry & MOs

Info

ID:	160383
PubChem CID:	57309731
Reduced:	O2C6H13 (2)
Stoich.:	A2B6C13 (2)
Weight, g/mol:	644.249807
ΔH_f, kcal/mol:	-205.2
Dipole, Da:	2.98
IP(EA), eV:	-9.9(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,4aR,7S,7aR,12bS)-3-(2-hydroxy-2-phenylethyl)-7-[methyl-[3-[4-(trifluoromethyl)phenyl]prop-2-ynoyl]amino]-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate

Drug info:

PubChemData

Smile

CCCCOCCOCC(O)OCCCC

DOS

IR

Vibrations