Geometry & MOs

Info

ID:	444751
PubChem CID:	135263425
Reduced:	ClSN2O4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	490.210387
ΔH_f, kcal/mol:	-102.34
Dipole, Da:	6.28
IP(EA), eV:	-8.75(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-acetyl-2,3-dihydroindol-5-yl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=CS2)C)OCC3=C(C=CC=C3Cl)N(C(=O)C)C(=O)OC

DOS

IR

Vibrations