Geometry & MOs

Info

ID:	174902
PubChem CID:	75827948
Reduced:	ClO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	407.103873
ΔH_f, kcal/mol:	-49.58
Dipole, Da:	2.08
IP(EA), eV:	-8.78(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-(2,4,5-trimethoxyphenyl)prop-2-enoyloxymethyl]-1,3-thiazole-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC=CC=C2)C(=O)NCCNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations