Geometry & MOs

Info

ID:	227435
PubChem CID:	87561751
Reduced:	SN3O3C9H15 (1)
Stoich.:	AB3C3D9E15 (1)
Weight, g/mol:	298.095357
ΔH_f, kcal/mol:	-157.68
Dipole, Da:	2.02
IP(EA), eV:	-9.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-formyl-1H-indol-5-yl)-4-methyl-1,3-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(N1C(=O)NC(=O)NC1=O)S

DOS

IR

Vibrations