Geometry & MOs

Info

ID:	440716
PubChem CID:	135231088
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	424.081696
ΔH_f, kcal/mol:	-66.8
Dipole, Da:	3.2
IP(EA), eV:	-9.25(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-pyrazol-4-ylmethyl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylphenyl]urea

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations