Geometry & MOs

Info

ID:	60537
PubChem CID:	26697153
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	468.102493
ΔH_f, kcal/mol:	-93.71
Dipole, Da:	3.46
IP(EA), eV:	-8.84(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[[3-(4-ethylanilino)-3-oxopropyl]sulfamoyl]-3-methylthiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

DOS

IR

Vibrations