Geometry & MOs

Info

ID:	55745
PubChem CID:	17396288
Reduced:	O2S2N3H15C17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	356.083078
ΔH_f, kcal/mol:	1.08
Dipole, Da:	3.17
IP(EA), eV:	-9.25(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetamido-1,3-thiazol-4-yl)methyl 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(C2=CC=CC=C2)SC3=NC4=C(C=CS4)C(=O)N3

DOS

IR

Vibrations