Geometry & MOs

Info

ID:	217001
PubChem CID:	85087102
Reduced:	NSO3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	323.145619
ΔH_f, kcal/mol:	-49.66
Dipole, Da:	3.96
IP(EA), eV:	-9.13(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4a-methyl-5,6,7,8-tetrahydronaphthalen-2-ylidene)amino]-3-methyl-1,3-benzothiazol-2-imine

Drug info:

PubChemData

Smile

CCCCCCCCC1C(CS1)OC2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations