Geometry & MOs

Info

ID:	322251
PubChem CID:	126669540
Reduced:	F3N3O5H24C25 (1)
Stoich.:	A3B3C5D24E25 (1)
Weight, g/mol:	475.098903
ΔH_f, kcal/mol:	-309.03
Dipole, Da:	9.76
IP(EA), eV:	-8.99(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-5-(pentafluoro-lambda6-sulfanyl)phenyl]-3-[(2-pyridin-4-yloxyphenyl)methyl]urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1NC(=O)NCC2=CC=CC=C2OCC3=CC(=CC=C3)C(=O)N)C(F)(F)F)CO

DOS

IR

Vibrations