Geometry & MOs

Info

ID:	32865
PubChem CID:	7848997
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	408.115521
ΔH_f, kcal/mol:	-196.83
Dipole, Da:	6.56
IP(EA), eV:	-9.13(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C[C@@H](C)O

DOS

IR

Vibrations