Geometry & MOs

Info

ID:	402427
PubChem CID:	135055921
Reduced:	NSO2H10C11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	224.0007
ΔH_f, kcal/mol:	-86.07
Dipole, Da:	8.48
IP(EA), eV:	-8.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,4R)-3-(1-chloro-2-methoxyethylidene)-4-(chloromethyl)oxolan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3[C@H](C4=CC=CC=C42)N(C5=CC=CC=C35)S(=O)(=O)C

DOS

IR

Vibrations