Geometry & MOs

Info

ID:	50035
PubChem CID:	11538933
Reduced:	SO2N4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	36.24
Dipole, Da:	6.71
IP(EA), eV:	-8.8(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (8R,10S,14S)-1'-benzyl-13-iminospiro[1,11-diazatetracyclo[6.5.1.02,7.011,14]tetradeca-2,4,6-triene-12,4'-piperidine]-10-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)SC2=CC(=NC3=CC=CC=C32)C4=C(NNC4=O)C5CC5

DOS

IR

Vibrations