Geometry & MOs

Info

ID:	137339
PubChem CID:	52192280
Reduced:	SN2O3F4H16C17 (1)
Stoich.:	AB2C3D4E16F17 (1)
Weight, g/mol:	379.140414
ΔH_f, kcal/mol:	-283.7
Dipole, Da:	1.74
IP(EA), eV:	-9.14(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(difluoromethylsulfanyl)phenyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)NC2=CC=CC=C2SC(F)F)OC(F)F

DOS

IR

Vibrations