Geometry & MOs

Info

ID:	240540
PubChem CID:	93581336
Reduced:	NSCl2O5C22H25 (1)
Stoich.:	ABC2D5E22F25 (1)
Weight, g/mol:	306.080491
ΔH_f, kcal/mol:	-185.82
Dipole, Da:	9.35
IP(EA), eV:	-9.33(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-chloro-N-ethyl-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@@H](CN(CC2=C(C=C(C=C2)Cl)Cl)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations