Geometry & MOs

Info

ID:	137898
PubChem CID:	52281114
Reduced:	FSN2O2C19H23 (1)
Stoich.:	ABC2D2E19F23 (1)
Weight, g/mol:	303.138305
ΔH_f, kcal/mol:	-86.81
Dipole, Da:	3.38
IP(EA), eV:	-8.81(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-3-[6-(3-fluorophenoxy)pyridin-3-yl]urea

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1SC)N(C)CC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations