Geometry & MOs

Info

ID:	437318
PubChem CID:	135223331
Reduced:	ClSO3N4H15C17 (1)
Stoich.:	ABC3D4E15F17 (1)
Weight, g/mol:	360.169859
ΔH_f, kcal/mol:	-36.99
Dipole, Da:	7.73
IP(EA), eV:	-9.44(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,7-dimethylindazol-3-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations