Geometry & MOs

Info

ID:	393906
PubChem CID:	135021937
Reduced:	NSO3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	399.150429
ΔH_f, kcal/mol:	-77.98
Dipole, Da:	4.02
IP(EA), eV:	-9.0(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanethioic S-acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)S)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations