Geometry & MOs

Info

ID:	426675
PubChem CID:	135153282
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	434.091198
ΔH_f, kcal/mol:	-56.68
Dipole, Da:	10.36
IP(EA), eV:	-9.11(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-4-[4-(trifluoromethylsulfinyl)phenoxy]phenyl]-3-phenylurea

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NC=C(N=C3)C#N

DOS

IR

Vibrations