Geometry & MOs

Info

ID:	136690
PubChem CID:	52085759
Reduced:	N2O2S2C21H22 (1)
Stoich.:	A2B2C2D21E22 (1)
Weight, g/mol:	402.107185
ΔH_f, kcal/mol:	-7.64
Dipole, Da:	5.82
IP(EA), eV:	-8.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,3-dimethylphenoxy)-N-[[3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazol-4-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C(=O)NCC2=CSC(=S)N2CC3=CC=CC=C3

DOS

IR

Vibrations