Geometry & MOs

Info

ID:	318768
PubChem CID:	126653081
Reduced:	SC9H20 (1)
Stoich.:	AB9C20 (1)
Weight, g/mol:	518.239242
ΔH_f, kcal/mol:	-46.61
Dipole, Da:	2.24
IP(EA), eV:	-8.68(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,8R)-9-[(6-methoxynaphthalen-2-yl)methyl]-4-(3,3,3-trifluoropropanoyl)-4,9-diazatricyclo[4.3.1.03,8]decan-2-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)C(C)(C(C)(C)C)S

DOS

IR

Vibrations