Geometry & MOs

Info

ID:	43665
PubChem CID:	10321614
Reduced:	N2O6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	452.152969
ΔH_f, kcal/mol:	-183.68
Dipole, Da:	7.7
IP(EA), eV:	-9.29(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(3R,4R)-1-ethylsulfonyl-4-methoxypyrrolidin-3-yl]oxy-5-fluorophenyl]-3-(6-methylpyridin-3-yl)urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[N+]1=C/C(=C\C2=CC(=CC=C2)OC)/N(C(=O)C1)CC3=CC=CC=C3.C(=O)[O-]

DOS

IR

Vibrations