Geometry & MOs

Info

ID:	171897
PubChem CID:	75438793
Reduced:	ON3F4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	346.046666
ΔH_f, kcal/mol:	-174.22
Dipole, Da:	4.11
IP(EA), eV:	-8.54(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-3-(1H-imidazol-2-ylmethyl)urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC2=CN(N=C2)CC(F)(F)F)F

DOS

IR

Vibrations