Geometry & MOs

Info

ID:	193792
PubChem CID:	78437714
Reduced:	ClNO3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	432.126954
ΔH_f, kcal/mol:	-115.1
Dipole, Da:	2.86
IP(EA), eV:	-9.42(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methylsulfanylphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C1C(=O)OC3CCCC3)C4=CC(=CC=C4)Cl)C(=O)CCC2

DOS

IR

Vibrations