Geometry & MOs

Info

ID:	148230
PubChem CID:	53787892
Reduced:	N2S2C7H16 (1)
Stoich.:	A2B2C7D16 (1)
Weight, g/mol:	523.257003
ΔH_f, kcal/mol:	-2.04
Dipole, Da:	4.42
IP(EA), eV:	-8.55(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[benzyl-[[5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methyl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol

Drug info:

PubChemData

Smile

CCN(CC)C(=S)SCCN

DOS

IR

Vibrations