Geometry & MOs

Info

ID:	432074
PubChem CID:	135172206
Reduced:	N3O4C28H41 (1)
Stoich.:	A3B4C28D41 (1)
Weight, g/mol:	218.024895
ΔH_f, kcal/mol:	-155.33
Dipole, Da:	2.48
IP(EA), eV:	-8.32(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-2-oxoethyl)-5-oxothiolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)OC)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NC=C(C=C3)COC

DOS

IR

Vibrations