Geometry & MOs

Info

ID:	440757
PubChem CID:	135231305
Reduced:	SO2N3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	340.11063
ΔH_f, kcal/mol:	30.29
Dipole, Da:	0.88
IP(EA), eV:	-8.44(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-pyrazol-4-ylmethyl)-3-[4-(pyridin-2-ylamino)sulfanylphenyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN=C(S2)NC3=CC=C(C=C3)NC(=O)OC4=CC=CC=C4

DOS

IR

Vibrations