Geometry & MOs

Info

ID:	67715
PubChem CID:	46507025
Reduced:	S2N3O3C24H29 (1)
Stoich.:	A2B3C3D24E29 (1)
Weight, g/mol:	441.154469
ΔH_f, kcal/mol:	-55.81
Dipole, Da:	5.25
IP(EA), eV:	-9.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-benzylsulfanyl-2-thiophen-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)N=C(C(=N2)SCC3=CC(=CC=C3)OC)C4=CC=CS4

DOS

IR

Vibrations