Geometry & MOs

Info

ID:	424499
PubChem CID:	135122915
Reduced:	N4O5C22H30 (1)
Stoich.:	A4B5C22D30 (1)
Weight, g/mol:	514.176265
ΔH_f, kcal/mol:	-169.36
Dipole, Da:	8.6
IP(EA), eV:	-9.49(-0.98)
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]-3-(2-propan-2-ylphenyl)thiourea

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCCOC(=O)C4=CN=C(O4)C

DOS

IR

Vibrations