Geometry & MOs

Info

ID:	148472
PubChem CID:	53788134
Reduced:	O18C27H44 (1)
Stoich.:	A18B27C44 (1)
Weight, g/mol:	250.023455
ΔH_f, kcal/mol:	-823.96
Dipole, Da:	3.12
IP(EA), eV:	-9.84(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylsulfanylphenyl)-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)OCCOC(COC(COCCOC=O)C(=O)OC(O)(OCCCCOC(=O)C)OCCCOC(=O)C)OC(=O)C

DOS

IR

Vibrations