Geometry & MOs

Info

ID:	209231
PubChem CID:	80641088
Reduced:	BrClNOSH9C13 (1)
Stoich.:	ABCDEF9G13 (1)
Weight, g/mol:	243.982174
ΔH_f, kcal/mol:	29.47
Dipole, Da:	2.58
IP(EA), eV:	-9.28(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(O2)CC(C3=C(C=CS3)Cl)Br

DOS

IR

Vibrations