Geometry & MOs

Info

ID:	336333
PubChem CID:	127255340
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	370.157581
ΔH_f, kcal/mol:	-143.61
Dipole, Da:	8.97
IP(EA), eV:	-8.48(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1NC=C(C2=O)C(=O)N[C@@H](CCSC)CO

DOS

IR

Vibrations