Geometry & MOs

Info

ID:	141341
PubChem CID:	52863161
Reduced:	ClSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	354.089895
ΔH_f, kcal/mol:	-6.11
Dipole, Da:	5.16
IP(EA), eV:	-9.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=NC4=C(S3)C(=O)CCC4

DOS

IR

Vibrations