Geometry & MOs

Info

ID:	128443
PubChem CID:	51044512
Reduced:	ON6C20H20 (1)
Stoich.:	AB6C20D20 (1)
Weight, g/mol:	389.19978
ΔH_f, kcal/mol:	83.87
Dipole, Da:	7.04
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)NCCC2=CNC3=CC=CC=C32)N4C=NN=N4)C

DOS

IR

Vibrations