Geometry & MOs

Info

ID:	156144
PubChem CID:	56369315
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	415.027218
ΔH_f, kcal/mol:	-109.01
Dipole, Da:	9.18
IP(EA), eV:	-8.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3=C(C=CC(=C3)C)C

DOS

IR

Vibrations