Geometry & MOs

Info

ID:	33054
PubChem CID:	7850497
Reduced:	O2C11H11 (2)
Stoich.:	A2B11C11 (2)
Weight, g/mol:	408.114378
ΔH_f, kcal/mol:	-109.81
Dipole, Da:	3.22
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxyphenyl)methyl (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)OCC(=O)C2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations