Geometry & MOs

Info

ID:	226299
PubChem CID:	87350385
Reduced:	N3O4H13C16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	443.05629
ΔH_f, kcal/mol:	-103.03
Dipole, Da:	8.44
IP(EA), eV:	-9.59(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]oxyurea

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)CN2C3=CC=CC=C3C(=O)OC2=O

DOS

IR

Vibrations