Geometry & MOs

Info

ID:	144120
PubChem CID:	53315654
Reduced:	O3N5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	203.098
ΔH_f, kcal/mol:	12.39
Dipole, Da:	8.37
IP(EA), eV:	-8.99(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(1-methylpyrrolidin-2-yl)-1,3-oxathiolane 3-oxide

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@]3(C[C@H]4[C@@H]2N(CC4)C(=O)C1)C(=NC5=C(N3)C=C(C=C5)[N+](=O)[O-])NCC6=CC=CC=C6

DOS

IR

Vibrations