Geometry & MOs

Info

ID:	69381
PubChem CID:	46530904
Reduced:	ClSN3O3C22H26 (1)
Stoich.:	ABC3D3E22F26 (1)
Weight, g/mol:	460.19444
ΔH_f, kcal/mol:	-92.15
Dipole, Da:	7.01
IP(EA), eV:	-8.97(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylpentanamide

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations