Geometry & MOs

Info

ID:	206439
PubChem CID:	80250188
Reduced:	BrNOC15H28 (1)
Stoich.:	ABCD15E28 (1)
Weight, g/mol:	315.034748
ΔH_f, kcal/mol:	-106.14
Dipole, Da:	2.8
IP(EA), eV:	-9.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-methylthiophen-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)CC1(CCCC1)CNC(=O)C(C(C)C)Br

DOS

IR

Vibrations