Geometry & MOs

Info

ID:	322393
PubChem CID:	126669987
Reduced:	NF3O4H8C9 (1)
Stoich.:	AB3C4D8E9 (1)
Weight, g/mol:	510.05518
ΔH_f, kcal/mol:	-227.55
Dipole, Da:	4.43
IP(EA), eV:	-10.3(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(2-chloropyrimidin-4-yl)oxyphenyl]methyl]-3-[2-methoxy-5-(pentafluoro-lambda6-sulfanyl)phenyl]urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)CO

DOS

IR

Vibrations