Geometry & MOs

Info

ID:	196267
PubChem CID:	78804374
Reduced:	NSO4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	338.101037
ΔH_f, kcal/mol:	-169.97
Dipole, Da:	6.32
IP(EA), eV:	-9.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 4-(1,3-dithian-2-yl)benzoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC1CCCCO1)NC(=O)C2=CC=CS2

DOS

IR

Vibrations