Geometry & MOs

Info

ID:	239031
PubChem CID:	93165891
Reduced:	SN2O3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	438.161329
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	5.24
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[[2-[(4-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=C(C=C2)C)C(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations