Geometry & MOs

Info

ID:	309415
PubChem CID:	126546113
Reduced:	OF2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-143.68
Dipole, Da:	3.09
IP(EA), eV:	-9.64(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-3-aminosulfanylphenyl)-3-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)urea

Drug info:

PubChemData

Smile

C1CC(COC1)C2CCC(CC2)C3=C(C(=CC=C3)F)F

DOS

IR

Vibrations