Geometry & MOs

Info

ID:	283737
PubChem CID:	104002787
Reduced:	SN2O3C12H24 (1)
Stoich.:	AB2C3D12E24 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-175.54
Dipole, Da:	6.04
IP(EA), eV:	-8.86(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-[(2-propylcyclopropyl)carbamoylamino]propanoic acid

Drug info:

PubChemData

Smile

CCSCC(C)NC(=O)NC(C(=O)O)C(C)(C)C

DOS

IR

Vibrations