Geometry & MOs

Info

ID:	437287
PubChem CID:	135221753
Reduced:	SO3N5H23C25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	230.115424
ΔH_f, kcal/mol:	-13.9
Dipole, Da:	6.28
IP(EA), eV:	-8.44(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropane;ethyl 2-acetyloxy-3-oxobutanoate

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)N(C(=O)CC4)CC5=CC=CC=N5)C

DOS

IR

Vibrations