Geometry & MOs

Info

ID:

424451

PubChem CID:

135122716

Reduced:

ClO3N7C24H30 (1)

Stoich.:

AB3C7D24E30 (1)

Weight, g/mol:

514.176265

ΔHf, kcal/mol:

-59.25

Dipole, Da:

6.7

IP(EA), eV:

 -8.5(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C2=NC=C(C(=N2)NC3=CC4=C(C=C3)N(C(=O)C(=C4)OCC(=O)NC)C)Cl)NC

DOS

IR

Vibrations