Geometry & MOs

Info

ID:	220552
PubChem CID:	85197748
Reduced:	SN3O3C15H25 (1)
Stoich.:	AB3C3D15E25 (1)
Weight, g/mol:	327.161663
ΔH_f, kcal/mol:	-140.3
Dipole, Da:	7.94
IP(EA), eV:	-9.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[butyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCN(CCC1=CSC(=N1)C(C)C)C(=O)NC(C)C(=O)O

DOS

IR

Vibrations