Geometry & MOs

Info

ID:	424370
PubChem CID:	135122420
Reduced:	N4O5C25H32 (1)
Stoich.:	A4B5C25D32 (1)
Weight, g/mol:	530.17118
ΔH_f, kcal/mol:	-178.14
Dipole, Da:	3.28
IP(EA), eV:	-9.58(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-[(E)-2-methyl-3-[2-[4-(trifluoromethoxy)anilino]pyrimidin-5-yl]prop-2-enylidene]amino]sulfanyl-3-(2-propan-2-ylphenyl)urea

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCOC(=O)C4=CC=CC(=C4)C(=O)NC

DOS

IR

Vibrations