Geometry & MOs

Info

ID:	204234
PubChem CID:	79933620
Reduced:	BrNOSH14C15 (1)
Stoich.:	ABCDE14F15 (1)
Weight, g/mol:	369.92928
ΔH_f, kcal/mol:	8.31
Dipole, Da:	4.37
IP(EA), eV:	-9.29(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)N2CCC3=CC=CC=C3C2)Br

DOS

IR

Vibrations