Geometry & MOs

Info

ID:	178111
PubChem CID:	76279487
Reduced:	S2N3O5C23H25 (1)
Stoich.:	A2B3C5D23E25 (1)
Weight, g/mol:	467.071798
ΔH_f, kcal/mol:	-127.13
Dipole, Da:	12.04
IP(EA), eV:	-9.25(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations