Geometry & MOs

Info

ID:	129701
PubChem CID:	51073599
Reduced:	OSN3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	343.085144
ΔH_f, kcal/mol:	-1.57
Dipole, Da:	4.41
IP(EA), eV:	-8.27(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2-acetamido-1,3-thiazol-4-yl)methyl]tetrazol-5-yl]benzamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C2CCCN2CC(=O)NCCC3=CC=CS3

DOS

IR

Vibrations