Geometry & MOs

Info

ID:	141579
PubChem CID:	52896076
Reduced:	ClN2O3S3C20H21 (1)
Stoich.:	AB2C3D3E20F21 (1)
Weight, g/mol:	358.105253
ΔH_f, kcal/mol:	-89.98
Dipole, Da:	3.41
IP(EA), eV:	-8.66(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-(2-ethoxybenzoyl)oxybenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCCS(=O)(=O)C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations