Geometry & MOs

Info

ID:	438399
PubChem CID:	135228136
Reduced:	N5O6C27H39 (1)
Stoich.:	A5B6C27D39 (1)
Weight, g/mol:	222.048129
ΔH_f, kcal/mol:	-244.45
Dipole, Da:	5.2
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopropyl] thiohypochlorite

Drug info:

PubChemData

Smile

CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2NC(=O)CNC(=O)C(C)(C)OCC(C)(C)O

DOS

IR

Vibrations