Geometry & MOs

Info

ID:	23273
PubChem CID:	602966
Reduced:	OSN3C7H9 (1)
Stoich.:	ABC3D7E9 (1)
Weight, g/mol:	183.046633
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	5.1
IP(EA), eV:	-9.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)NC1)SC(=N2)N

DOS

IR

Vibrations