Geometry & MOs

Info

ID:	239136
PubChem CID:	93166039
Reduced:	ClN2S2O3C22H25 (1)
Stoich.:	AB2C2D3E22F25 (1)
Weight, g/mol:	464.099513
ΔH_f, kcal/mol:	-69.39
Dipole, Da:	6.97
IP(EA), eV:	-9.29(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations