Geometry & MOs

Info

ID:	243241
PubChem CID:	99217617
Reduced:	ClS2F3N3O5C15H17 (1)
Stoich.:	AB2C3D3E5F15G17 (1)
Weight, g/mol:	435.06557
ΔH_f, kcal/mol:	-277.98
Dipole, Da:	5.18
IP(EA), eV:	-9.9(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-chlorophenyl)methyl-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCSC(F)(F)F)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations