Geometry & MOs

Info

ID:	223749
PubChem CID:	85335521
Reduced:	SF3N3O4C26H32 (1)
Stoich.:	AB3C3D4E26F32 (1)
Weight, g/mol:	533.153304
ΔH_f, kcal/mol:	-287.53
Dipole, Da:	4.08
IP(EA), eV:	-8.36(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(N-[3-(N'-hydroxycarbamimidoyl)phenyl]anilino)urea

Drug info:

PubChemData

Smile

CC1CCCC2C1C(=O)N(C(N2)C(C)N(C)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)OC

DOS

IR

Vibrations