Geometry & MOs

Info

ID:	191301
PubChem CID:	78127531
Reduced:	FSN4O4C26H31 (1)
Stoich.:	ABC4D4E26F31 (1)
Weight, g/mol:	342.137971
ΔH_f, kcal/mol:	-131.84
Dipole, Da:	10.71
IP(EA), eV:	-8.44(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)urea

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)NC(=O)C1=C2C=C(C=CN2N=C1)N3CCCC3C4=C(C=CC(=C4)F)OCC5CC5

DOS

IR

Vibrations