Geometry & MOs

Info

ID:	239135
PubChem CID:	93166038
Reduced:	N2S2O4C23H28 (1)
Stoich.:	A2B2C4D23E28 (1)
Weight, g/mol:	464.099513
ΔH_f, kcal/mol:	-102.71
Dipole, Da:	4.5
IP(EA), eV:	-8.92(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-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)C)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations