Geometry & MOs

Info

ID:	137521
PubChem CID:	52219322
Reduced:	ClSO2N4C15H17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	1.67
Dipole, Da:	6.15
IP(EA), eV:	-9.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-benzyl-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(C=C1)Cl)SC2=NN=NN2C[C@@H]3CCCO3

DOS

IR

Vibrations