Geometry & MOs

Info

ID:	147572
PubChem CID:	53787228
Reduced:	NSO2C16H27 (1)
Stoich.:	ABC2D16E27 (1)
Weight, g/mol:	252.20893
ΔH_f, kcal/mol:	-90.74
Dipole, Da:	3.04
IP(EA), eV:	-9.34(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,18-dioxatricyclo[15.1.0.08,10]octadecane

Drug info:

PubChemData

Smile

CCCCCCCCNC(=O)C=CC(=O)CC(C=C)S

DOS

IR

Vibrations