Geometry & MOs

Info

ID:	138920
PubChem CID:	52443176
Reduced:	FN4O4C25H29 (1)
Stoich.:	AB4C4D25E29 (1)
Weight, g/mol:	409.96485
ΔH_f, kcal/mol:	-155.83
Dipole, Da:	1.5
IP(EA), eV:	-8.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-bromo-5-fluoro-2-oxoindol-3-yl)amino]-3-(2-fluorophenyl)thiourea

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CC3=C([C@@H](NC(=O)N3)C4=CC(=CC=C4)F)C(=O)OC

DOS

IR

Vibrations