Geometry & MOs

Info

ID:	239128
PubChem CID:	93166026
Reduced:	N2S2O3C24H30 (1)
Stoich.:	A2B2C3D24E30 (1)
Weight, g/mol:	464.099513
ΔH_f, kcal/mol:	-75.12
Dipole, Da:	6.79
IP(EA), eV:	-9.04(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[[2-[(4-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)C)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations