Geometry & MOs

Info

ID:	203158
PubChem CID:	79788680
Reduced:	N2F3O3C10H17 (1)
Stoich.:	A2B3C3D10E17 (1)
Weight, g/mol:	266.083747
ΔH_f, kcal/mol:	-315.98
Dipole, Da:	2.99
IP(EA), eV:	-10.3(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[5-(5-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CNC(C)(C(=O)O)C(F)(F)F

DOS

IR

Vibrations