Geometry & MOs

Info

ID:	347281
PubChem CID:	127272075
Reduced:	OS2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	384.142011
ΔH_f, kcal/mol:	-1.66
Dipole, Da:	4.24
IP(EA), eV:	-8.83(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-2,3-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]quinoxaline-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(SC2=NC=C1)C(=O)NCCC3=NC4=C(S3)CCCC4)C

DOS

IR

Vibrations