Geometry & MOs

Info

ID:	425111
PubChem CID:	135125185
Reduced:	O2N3C26H29 (1)
Stoich.:	A2B3C26D29 (1)
Weight, g/mol:	575.1101
ΔH_f, kcal/mol:	-45.37
Dipole, Da:	5.05
IP(EA), eV:	-8.67(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl (2R)-6-amino-8-(5-bromo-2-fluorophenyl)-5,8-dimethyl-4,4-dioxo-4lambda6-thia-5,7-diazaspiro[2.5]oct-6-ene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCNC(=O)N1CCC2(CCC3=C(O2)C=CC(=C3)C4=C(C5=C(C=CC=N5)C=C4)C)CC1

DOS

IR

Vibrations