Geometry & MOs

Info

ID:	204597
PubChem CID:	79988001
Reduced:	BrOSN2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	364.91396
ΔH_f, kcal/mol:	28.31
Dipole, Da:	3.03
IP(EA), eV:	-8.62(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2NC(=O)C3=CC(=C(S3)Br)C)C=C1

DOS

IR

Vibrations