Geometry & MOs

Info

ID:	129248
PubChem CID:	51072048
Reduced:	NSO2H5C8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	4.72
IP(EA), eV:	-9.68(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC=C1C=C(C#N)C(=O)O

DOS

IR

Vibrations