Geometry & MOs

Info

ID:	440709
PubChem CID:	135231073
Reduced:	SO3N6H14C15 (1)
Stoich.:	AB3C6D14E15 (1)
Weight, g/mol:	387.100125
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	8.9
IP(EA), eV:	-9.36(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-methoxypyridin-3-yl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CNN=C3

DOS

IR

Vibrations