Geometry & MOs

Info

ID:	437319
PubChem CID:	135223334
Reduced:	ON6C20H20 (1)
Stoich.:	AB6C20D20 (1)
Weight, g/mol:	433.120861
ΔH_f, kcal/mol:	75.26
Dipole, Da:	4.01
IP(EA), eV:	-8.05(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-pyrazol-4-ylmethyl)-3-[4-(2-pyridin-4-ylphenyl)sulfonylphenyl]urea

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=NN2C)C3=CC=C(C=C3)NC(=O)NCC4=CNN=C4

DOS

IR

Vibrations