Geometry & MOs

Info

ID:	29441
PubChem CID:	833822
Reduced:	FON2S2H9C12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-19.31
Dipole, Da:	2.94
IP(EA), eV:	-8.86(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(5-phenyltetrazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC=CS2)F

DOS

IR

Vibrations