Geometry & MOs

Info

ID:	320742
PubChem CID:	126663153
Reduced:	N3O6C37H45 (1)
Stoich.:	A3B6C37D45 (1)
Weight, g/mol:	382.182733
ΔH_f, kcal/mol:	-136.68
Dipole, Da:	4.77
IP(EA), eV:	-8.86(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(methylsulfanylamino)phenyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)CN2CN(C3(CCN(CC3)C(=O)OCC4=CC=CC=C4)C5C2O5)C6=CC=CC=C6

DOS

IR

Vibrations