Geometry & MOs

Info

ID:	252348
PubChem CID:	103110712
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	301.088498
ΔH_f, kcal/mol:	-33.41
Dipole, Da:	5.43
IP(EA), eV:	-8.89(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-amine

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CC=C(C=C1)/C(=N/O)/N

DOS

IR

Vibrations