Geometry & MOs

Info

ID:	425943
PubChem CID:	135133171
Reduced:	SO4N5C19H21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	343.272259
ΔH_f, kcal/mol:	-43.6
Dipole, Da:	2.53
IP(EA), eV:	-8.69(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

decan-5-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Drug info:

PubChemData

Smile

CCN1C2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)N4CCOCS4(=O)=O)C(=N1)C

DOS

IR

Vibrations