Geometry & MOs

Info

ID:	208957
PubChem CID:	80607831
Reduced:	ISN5C7H8 (1)
Stoich.:	ABC5D7E8 (1)
Weight, g/mol:	296.167083
ΔH_f, kcal/mol:	115.4
Dipole, Da:	4.86
IP(EA), eV:	-9.22(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]azepan-2-one

Drug info:

PubChemData

Smile

CNC1=NN=C(S1)CN2C=C(C=N2)I

DOS

IR

Vibrations