Geometry & MOs

Info

ID:	431462
PubChem CID:	135171543
Reduced:	NOSC17H33 (1)
Stoich.:	ABCD17E33 (1)
Weight, g/mol:	292.029107
ΔH_f, kcal/mol:	-107.66
Dipole, Da:	4.99
IP(EA), eV:	-8.91(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

Drug info:

PubChemData

Smile

CCCCCC(C)(C)C/C=C/C(C)(C)SC(C)C(=O)N

DOS

IR

Vibrations