Geometry & MOs

Info

ID:	188348
PubChem CID:	77702463
Reduced:	ClON3C12H20 (2)
Stoich.:	ABC3D12E20 (2)
Weight, g/mol:	554.242373
ΔH_f, kcal/mol:	-127.48
Dipole, Da:	6.11
IP(EA), eV:	-8.57(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-5-propan-2-ylpyrazol-3-yl]-3-[4-[2-(methanesulfonamido)pyridin-4-yl]oxyphenyl]urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N=C2NC3CCCCC3NNCCOC)C(=O)NCC(C)(C)C.Cl.Cl

DOS

IR

Vibrations