Geometry & MOs

Info

ID:	187286
PubChem CID:	77554559
Reduced:	NSO2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	526.174037
ΔH_f, kcal/mol:	5.91
Dipole, Da:	8.67
IP(EA), eV:	-8.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-5-(2-pyrazolidin-4-ylpyridin-4-yl)oxyphenyl]-3-[3-pyrrol-1-yl-5-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC12CCC(=O)OC1=CCC3C2CCC4(C3CC=C4C5=CN=CS5)C

DOS

IR

Vibrations