Geometry & MOs

Info

ID:	198873
PubChem CID:	79164889
Reduced:	SN2O3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	273.089561
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	5.71
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CN1CCOC(C1)CSC2=C(C=CC=N2)C(=O)O

DOS

IR

Vibrations