Geometry & MOs

Info

ID:	220551
PubChem CID:	85197747
Reduced:	NSO4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	327.161663
ΔH_f, kcal/mol:	-191.61
Dipole, Da:	4.03
IP(EA), eV:	-9.94(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl-propylcarbamoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCC(CS(=O)(=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations