Geometry & MOs

Info

ID:	33046
PubChem CID:	7850459
Reduced:	ClNO4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	403.120192
ΔH_f, kcal/mol:	-121.6
Dipole, Da:	3.86
IP(EA), eV:	-9.24(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyethylamino)-2-oxoethyl] (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)NCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations