Geometry & MOs

Info

ID:	449184
PubChem CID:	135296625
Reduced:	NSO16C22H35 (1)
Stoich.:	ABC16D22E35 (1)
Weight, g/mol:	414.210981
ΔH_f, kcal/mol:	-697.55
Dipole, Da:	6.2
IP(EA), eV:	-10.28(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butylsulfanyl-4-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]butane-2,3-diol

Drug info:

PubChemData

Smile

CC1C(C(C(OC1C(=O)O)OC2CC(C(OC2OS(=O)(=O)OC(CO)COC(=O)C(=C)C)OC)NC(=O)C)O)O

DOS

IR

Vibrations