Geometry & MOs

Info

ID:	191602
PubChem CID:	78166858
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	443.07423
ΔH_f, kcal/mol:	-63.08
Dipole, Da:	7.78
IP(EA), eV:	-9.03(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-sulfooxyethyl] pyrrolidine-1-carbodithioate

Drug info:

PubChemData

Smile

CN1CC(=O)N2CC(CC2COC3=CC=CC=C3C4=CC=CC=C4C1=O)N(C)C

DOS

IR

Vibrations