Geometry & MOs

Info

ID:	276037
PubChem CID:	103820102
Reduced:	SN3O3C12H21 (1)
Stoich.:	AB3C3D12E21 (1)
Weight, g/mol:	327.150429
ΔH_f, kcal/mol:	-112.11
Dipole, Da:	10.48
IP(EA), eV:	-9.09(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-tert-butylthiophen-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(CNC1=NC=C(C=C1)S(=O)(=O)N(C)C)CO

DOS

IR

Vibrations