Geometry & MOs

Info

ID:	398820
PubChem CID:	135035599
Reduced:	O3C21H28 (1)
Stoich.:	A3B21C28 (1)
Weight, g/mol:	500.143964
ΔH_f, kcal/mol:	-123.3
Dipole, Da:	3.82
IP(EA), eV:	-9.61(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-(dithiolane-4-carbonylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=CC=C1[C@H]2C[C@H](CCC2=O)C(C)(C)C

DOS

IR

Vibrations