Geometry & MOs

Info

ID:	295505
PubChem CID:	117531560
Reduced:	NSO4C9H11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	208.064806
ΔH_f, kcal/mol:	-151.0
Dipole, Da:	4.21
IP(EA), eV:	-9.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)methyl N-(cyanomethyl)carbamate

Drug info:

PubChemData

Smile

C1=CSC(=C1)COC(=O)NCCC(=O)O

DOS

IR

Vibrations