Geometry & MOs

Info

ID:	137338
PubChem CID:	52192279
Reduced:	SF2N2O2C17H18 (1)
Stoich.:	AB2C2D2E17F18 (1)
Weight, g/mol:	404.081776
ΔH_f, kcal/mol:	-144.39
Dipole, Da:	2.96
IP(EA), eV:	-8.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[2-(difluoromethylsulfanyl)phenyl]urea

Drug info:

PubChemData

Smile

COCC1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2SC(F)F

DOS

IR

Vibrations