Geometry & MOs

Info

ID:	135639
PubChem CID:	51907474
Reduced:	SN2O4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	350.131366
ΔH_f, kcal/mol:	-147.55
Dipole, Da:	9.7
IP(EA), eV:	-8.6(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CCNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations