Geometry & MOs

Info

ID:	227999
PubChem CID:	87563203
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	5.57
IP(EA), eV:	-8.57(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[(E)-hydroxyiminomethyl]-1-propan-2-ylindol-5-yl]-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)C2=CC3=C(C=C2)N(C=C3/C=N\O)C(C)C)C

DOS

IR

Vibrations