Geometry & MOs

Info

ID:	36918
PubChem CID:	8014721
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	344.125988
ΔH_f, kcal/mol:	-76.68
Dipole, Da:	2.82
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxycarbonylphenyl) 3,4-diethoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C(=O)CN(C3=O)C

DOS

IR

Vibrations