Geometry & MOs

Info

ID:	132894
PubChem CID:	51441359
Reduced:	ClNOC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	324.023247
ΔH_f, kcal/mol:	-9.19
Dipole, Da:	10.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.865809
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C=CC=C2Cl)[C@H]([C@H]1[NH3+])O

DOS

IR

Vibrations