Geometry & MOs

Info

ID:	271427
PubChem CID:	103676986
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	276.053276
ΔH_f, kcal/mol:	-49.17
Dipole, Da:	11.62
IP(EA), eV:	-8.81(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-difluorophenyl)methyl]-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(N1C)NCC2(CCCCCC2)O)[N+](=O)[O-]

DOS

IR

Vibrations