Geometry & MOs

Info

ID:	135365
PubChem CID:	51860815
Reduced:	N2S2O6C16H21 (1)
Stoich.:	A2B2C6D16E21 (1)
Weight, g/mol:	327.009884
ΔH_f, kcal/mol:	-211.19
Dipole, Da:	6.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752311
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-4-ethoxy-N-[(2S)-2-hydroxypropyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@H]1C[C@@H]2N3[C@@H]4CS(=O)(=O)C[C@@H]4SC3=NC(=O)COCC(=O)[O-]

DOS

IR

Vibrations