Geometry & MOs

Info

ID:	239056
PubChem CID:	93165927
Reduced:	SN2O4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	438.161329
ΔH_f, kcal/mol:	-82.9
Dipole, Da:	3.74
IP(EA), eV:	-8.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=CC=C2C)C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations