Geometry & MOs

Info

ID:	440759
PubChem CID:	135231313
Reduced:	SO3N4H20C26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	357.089561
ΔH_f, kcal/mol:	19.06
Dipole, Da:	12.68
IP(EA), eV:	-9.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-pyrazol-4-ylmethyl)-3-(4-pyridin-4-ylsulfonylphenyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations