Geometry & MOs

Info

ID:	178288
PubChem CID:	76308485
Reduced:	Cl2N3O4S4H9C14 (1)
Stoich.:	A2B3C4D4E9F14 (1)
Weight, g/mol:	473.156241
ΔH_f, kcal/mol:	-52.46
Dipole, Da:	10.99
IP(EA), eV:	-9.58(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-methoxy-2-[2-[[2-(2-methylanilino)-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NN=C(S2)SC3=CC=C(C=C3)S(=O)(=O)Cl)S(=O)(=O)Cl

DOS

IR

Vibrations