Geometry & MOs

Info

ID:	283733
PubChem CID:	104002257
Reduced:	SN3O3C9H13 (1)
Stoich.:	AB3C3D9E13 (1)
Weight, g/mol:	306.107185
ΔH_f, kcal/mol:	-111.18
Dipole, Da:	8.25
IP(EA), eV:	-9.85(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-2-[(2-methylsulfanylcyclopentyl)carbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CN=C(S1)CNC(=O)N[C@H](C)C(=O)O

DOS

IR

Vibrations