Geometry & MOs

Info

ID:	239132
PubChem CID:	93166034
Reduced:	N2S2O5C23H28 (1)
Stoich.:	A2B2C5D23E28 (1)
Weight, g/mol:	444.154135
ΔH_f, kcal/mol:	-125.55
Dipole, Da:	4.75
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=CC=C2OC)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations