Geometry & MOs

Info

ID:	148928
PubChem CID:	53788598
Reduced:	S2N3O4C17H27 (1)
Stoich.:	A2B3C4D17E27 (1)
Weight, g/mol:	227.05132
ΔH_f, kcal/mol:	-194.86
Dipole, Da:	1.44
IP(EA), eV:	-8.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(5-chloro-6-fluoroindol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1(CC(=O)CC1C(=O)N[C@@H](CCSC)C(=O)N2CSCC2C(=O)N)C

DOS

IR

Vibrations