Geometry & MOs

Info

ID:	178085
PubChem CID:	76274904
Reduced:	ClFSO2N3C22H25 (1)
Stoich.:	ABCD2E3F22G25 (1)
Weight, g/mol:	431.151492
ΔH_f, kcal/mol:	-90.9
Dipole, Da:	2.94
IP(EA), eV:	-8.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[4-(2-methoxyethoxy)phenyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(CNC(=O)C2CCCN2C(=O)C3=CC=CS3)C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations