Geometry & MOs

Info

ID:	207787
PubChem CID:	80449764
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	270.140199
ΔH_f, kcal/mol:	-131.51
Dipole, Da:	7.02
IP(EA), eV:	-9.01(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-2-[butan-2-yl(methyl)amino]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C1=C(SC(=N1)N2CC(OC(C2)C)C)C(=O)O

DOS

IR

Vibrations