Geometry & MOs

Info

ID:

424397

PubChem CID:

135122546

Reduced:

N5O5C29H39 (1)

Stoich.:

A5B5C29D39 (1)

Weight, g/mol:

528.191915

ΔHf, kcal/mol:

-162.07

Dipole, Da:

4.75

IP(EA), eV:

 -9.36(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)C[C@@H](C)COC(=O)C4=CC=CC(=C4)C(=O)N5CCNCC5

DOS

IR

Vibrations