Geometry & MOs

Info

ID:	30838
PubChem CID:	841991
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	343.081305
ΔH_f, kcal/mol:	-14.82
Dipole, Da:	4.62
IP(EA), eV:	-8.78(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)COC

DOS

IR

Vibrations