Geometry & MOs

Info

ID:	239139
PubChem CID:	93166042
Reduced:	ClN2S2O4C22H25 (1)
Stoich.:	AB2C2D4E22F25 (1)
Weight, g/mol:	458.169785
ΔH_f, kcal/mol:	-99.62
Dipole, Da:	4.94
IP(EA), eV:	-9.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-N-[[2-[(2,3-dimethylphenoxy)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)OC

DOS

IR

Vibrations