Geometry & MOs

Info

ID:	226126
PubChem CID:	87325851
Reduced:	BrSCl3N3O4H17C21 (1)
Stoich.:	ABC3D3E4F17G21 (1)
Weight, g/mol:	163.987636
ΔH_f, kcal/mol:	-98.97
Dipole, Da:	3.67
IP(EA), eV:	-9.16(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-methyl-2-oxo-1,3-dioxolane-4-carbonyl chloride

Drug info:

PubChemData

Smile

CCN(C=O)C1=C(C=C(C(=C1)NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)Cl)Br)OC3=CC(=CN=C3)Cl

DOS

IR

Vibrations