Geometry & MOs

Info

ID:	218187
PubChem CID:	85089005
Reduced:	SO3N5C22H23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	437.241352
ΔH_f, kcal/mol:	0.81
Dipole, Da:	7.68
IP(EA), eV:	-8.29(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 5-O-(2-hydroxyhexyl) 2-(phenylmethoxycarbonylamino)pentanedioate

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)C(=NNC(=NC2=CC=CC=C2)N)C3=CC=CC=C3)S(=O)(=O)O

DOS

IR

Vibrations