Geometry & MOs

Info

ID:	444759
PubChem CID:	135263482
Reduced:	NSO4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	236.096106
ΔH_f, kcal/mol:	-153.24
Dipole, Da:	7.22
IP(EA), eV:	-8.59(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CCS(=O)(=O)CC2)CC(=O)O

DOS

IR

Vibrations