Geometry & MOs

Info

ID:	156744
PubChem CID:	56374094
Reduced:	ClSN2O4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	485.93773
ΔH_f, kcal/mol:	-105.68
Dipole, Da:	3.08
IP(EA), eV:	-8.45(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]sulfonylamino]-3-thiophen-2-ylpropanoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CNC4=CC=CC=C43)Cl

DOS

IR

Vibrations