Geometry & MOs

Info

ID:	237744
PubChem CID:	92721197
Reduced:	SN2O2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	426.161329
ΔH_f, kcal/mol:	25.36
Dipole, Da:	3.12
IP(EA), eV:	-9.07(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-amine

Drug info:

PubChemData

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CC1=CC=CC=C1[C@@H]2CCCN2C(=O)C3=NOC(=C3)C4=CC=CS4

DOS

IR

Vibrations