Geometry & MOs

Info

ID:	37539
PubChem CID:	8022026
Reduced:	SO2N6C12H20 (1)
Stoich.:	AB2C6D12E20 (1)
Weight, g/mol:	405.125946
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	6.34
IP(EA), eV:	-9.76(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-phenylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSC2=NN=NN2C

DOS

IR

Vibrations