Geometry & MOs

Info

ID:	59566
PubChem CID:	24875311
Reduced:	SO2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	494.120875
ΔH_f, kcal/mol:	-48.28
Dipole, Da:	2.28
IP(EA), eV:	-8.56(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[5-[2-[[6-(1H-1,2,4-triazol-5-ylamino)pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]urea

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C2=CC(=C(C=C2)O)O

DOS

IR

Vibrations