Geometry & MOs

Info

ID:	221316
PubChem CID:	85267631
Reduced:	SO9C16H30 (1)
Stoich.:	AB9C16D30 (1)
Weight, g/mol:	398.158552
ΔH_f, kcal/mol:	-398.24
Dipole, Da:	5.32
IP(EA), eV:	-9.49(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-dithian-2-ylmethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane

Drug info:

PubChemData

Smile

CC1(C(OC2C(C1OC)OCOC2OS(=O)(=O)C)CC(COC)OC)C

DOS

IR

Vibrations