Geometry & MOs

Info

ID:	62605
PubChem CID:	26725260
Reduced:	BrSN3O6C16H16 (1)
Stoich.:	ABC3D6E16F16 (1)
Weight, g/mol:	486.109687
ΔH_f, kcal/mol:	-196.54
Dipole, Da:	3.79
IP(EA), eV:	-9.64(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3-nitrobenzoyl)amino]-5-(3,4,5-trimethoxyphenyl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1C(=O)NNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations