Geometry & MOs

Info

ID:	309559
PubChem CID:	126548517
Reduced:	ClSN2O5C35H47 (1)
Stoich.:	ABC2D5E35F47 (1)
Weight, g/mol:	302.149364
ΔH_f, kcal/mol:	-158.46
Dipole, Da:	3.13
IP(EA), eV:	-9.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(trifluoromethyl)-1-tricyclo[5.3.1.04,9]undecanyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1C/C=C/[C@@H]([C@@H]2C[C@H]([C@H]2CN3CCCCC4=C(COC5=C3C=C(C=C5)C(=O)NS(=O)(=O)C1CC(C)C)C=CC(=C4)Cl)C)O

DOS

IR

Vibrations