Geometry & MOs

Info

ID:	37213
PubChem CID:	8018280
Reduced:	S2N4O4C17H18 (1)
Stoich.:	A2B4C4D17E18 (1)
Weight, g/mol:	378.050631
ΔH_f, kcal/mol:	-103.52
Dipole, Da:	3.6
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[2-(4-chlorophenoxy)acetyl]oxybenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)CC3)[C@@H]4CCS(=O)(=O)C4

DOS

IR

Vibrations