Geometry & MOs

Info

ID:	142770
PubChem CID:	53089714
Reduced:	FNSO3C20H22 (1)
Stoich.:	ABCD3E20F22 (1)
Weight, g/mol:	327.138305
ΔH_f, kcal/mol:	-117.82
Dipole, Da:	3.31
IP(EA), eV:	-9.56(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(3-fluorophenyl)urea

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC(C3)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations