Geometry & MOs

Info

ID:	258367
PubChem CID:	103153253
Reduced:	SN3O5C12H13 (1)
Stoich.:	AB3C5D12E13 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-170.0
Dipole, Da:	11.68
IP(EA), eV:	-9.83(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CN=C2N(C1=O)C=CS2

DOS

IR

Vibrations