Geometry & MOs

Info

ID:	127208
PubChem CID:	50994359
Reduced:	SiN3O3C31H37 (1)
Stoich.:	AB3C3D31E37 (1)
Weight, g/mol:	434.102431
ΔH_f, kcal/mol:	-90.13
Dipole, Da:	5.74
IP(EA), eV:	-8.44(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-[4-(trifluoromethoxy)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C(C=CC=C21)C3=CC(=CC(=C3)NC(=O)OC)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations