Geometry & MOs

Info

ID:	209042
PubChem CID:	80617008
Reduced:	ClOS2N4H7C8 (1)
Stoich.:	ABC2D4E7F8 (1)
Weight, g/mol:	296.167083
ΔH_f, kcal/mol:	39.75
Dipole, Da:	3.16
IP(EA), eV:	-9.5(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(4-propan-2-ylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Cl)CNC(=O)C2=NN=C(S2)N

DOS

IR

Vibrations