Geometry & MOs

Info

ID:	263997
PubChem CID:	103413900
Reduced:	SBr2N2O2C12H16 (1)
Stoich.:	AB2C2D2E12F16 (1)
Weight, g/mol:	326.039499
ΔH_f, kcal/mol:	-65.46
Dipole, Da:	3.31
IP(EA), eV:	-8.73(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)NC(=O)[C@@H](CCSC)N)Br)Br

DOS

IR

Vibrations