Geometry & MOs

Info

ID:	263595
PubChem CID:	103380771
Reduced:	OSN4C10H18 (1)
Stoich.:	ABC4D10E18 (1)
Weight, g/mol:	291.08639
ΔH_f, kcal/mol:	-31.62
Dipole, Da:	6.55
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-5-(1,4-thiazepan-4-yl)-1,2-thiazol-3-amine

Drug info:

PubChemData

Smile

CC(C)CCN(C)C1=C(C(=NS1)N)C(=O)N

DOS

IR

Vibrations