Geometry & MOs

Info

ID:	239140
PubChem CID:	93166044
Reduced:	N2S2O3C24H30 (1)
Stoich.:	A2B2C3D24E30 (1)
Weight, g/mol:	446.1334
ΔH_f, kcal/mol:	-76.92
Dipole, Da:	4.47
IP(EA), eV:	-8.76(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-4-methoxy-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=CC(=C2C)C)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations