Geometry & MOs

Info

ID:	216064
PubChem CID:	85085655
Reduced:	SN3O3C7H15 (1)
Stoich.:	AB3C3D7E15 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	-103.55
Dipole, Da:	3.22
IP(EA), eV:	-8.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)nitrous amide

Drug info:

PubChemData

Smile

CSCCC(C(=O)NCC(=O)NO)N

DOS

IR

Vibrations