Geometry & MOs

Info

ID:	239141
PubChem CID:	93166045
Reduced:	NSO2C11H13 (2)
Stoich.:	ABC2D11E13 (2)
Weight, g/mol:	446.1334
ΔH_f, kcal/mol:	-91.84
Dipole, Da:	5.72
IP(EA), eV:	-9.11(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-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=C2)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations