Geometry & MOs

Info

ID:	37354
PubChem CID:	8020094
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	410.098352
ΔH_f, kcal/mol:	-134.17
Dipole, Da:	3.66
IP(EA), eV:	-8.83(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations