Geometry & MOs

Info

ID:	270198
PubChem CID:	103633515
Reduced:	ClN2O2S2C11H11 (1)
Stoich.:	AB2C2D2E11F11 (1)
Weight, g/mol:	268.158706
ΔH_f, kcal/mol:	43.65
Dipole, Da:	5.75
IP(EA), eV:	-9.38(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Cl)CCNCC2=CSC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations