Geometry & MOs

Info

ID:	237995
PubChem CID:	92728745
Reduced:	NO3C13H14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	446.070321
ΔH_f, kcal/mol:	-213.45
Dipole, Da:	7.59
IP(EA), eV:	-9.34(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCCC1)OC(=O)C2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations