Geometry & MOs

Info

ID:	38335
PubChem CID:	8030662
Reduced:	SN3O5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	332.072784
ΔH_f, kcal/mol:	-41.2
Dipole, Da:	3.52
IP(EA), eV:	-8.68(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[(3-chlorophenyl)methyl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=CSC2=NC(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations