Geometry & MOs

Info

ID:	229808
PubChem CID:	87569133
Reduced:	SN4O5H20C22 (1)
Stoich.:	AB4C5D20E22 (1)
Weight, g/mol:	326.101037
ΔH_f, kcal/mol:	-83.55
Dipole, Da:	3.86
IP(EA), eV:	-9.07(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(4-hydroxyphenyl)ethyl]-1,3-dithian-2-yl]ethyl acetate

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)COC=O)CC2=COC3=C2C=CC(=C3)OC4=NC5=C(S4)C=CC=N5

DOS

IR

Vibrations