Geometry & MOs

Info

ID:	335907
PubChem CID:	127254769
Reduced:	OSN4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	345.100794
ΔH_f, kcal/mol:	58.01
Dipole, Da:	8.41
IP(EA), eV:	-8.2(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(tetrazol-1-yl)butanamide

Drug info:

PubChemData

Smile

CN1C=CC=C1CN2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=CC=C4

DOS

IR

Vibrations