Geometry & MOs

Info

ID:	391112
PubChem CID:	135002893
Reduced:	N2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	-186.84
Dipole, Da:	4.22
IP(EA), eV:	-8.87(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-acetyloxyheptyl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H]2CC(=CN([C@@H]2C3=C(N1)C(=CC=C3)O)C)C(=O)OC

DOS

IR

Vibrations