Geometry & MOs

Info

ID:	409133
PubChem CID:	135081910
Reduced:	LiO2C3H5 (1)
Stoich.:	AB2C3D5 (1)
Weight, g/mol:	401.168365
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	3.34
IP(EA), eV:	-8.79(1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3aR,5R,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-difluoro-lambda4-sulfanyl]-N-ethylethanamine

Drug info:

PubChemData

Smile

[Li+].C1C(O1)C[O-]

DOS

IR

Vibrations