Geometry & MOs

Info

ID:	223514
PubChem CID:	85335154
Reduced:	OSN4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	401.090864
ΔH_f, kcal/mol:	4.95
Dipole, Da:	5.4
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxy-2-[2-[[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(C(=O)N2)C3=CSC(=N3)NC4=CN=CC=C4

DOS

IR

Vibrations