Geometry & MOs

Info

ID:	231758
PubChem CID:	87574609
Reduced:	N3O3H17C23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	195.996093
ΔH_f, kcal/mol:	-5.73
Dipole, Da:	4.46
IP(EA), eV:	-9.5(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-2-(1,4-oxathian-2-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N=C3C=CN=C(C3=C2)C=O)C4=CC=C(C=C4)CNC(=O)O

DOS

IR

Vibrations