Geometry & MOs

Info

ID:	67736
PubChem CID:	46507063
Reduced:	SN4O6C26H32 (1)
Stoich.:	AB4C6D26E32 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-195.63
Dipole, Da:	2.54
IP(EA), eV:	-8.1(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-benzyl-3-oxo-2-thiophen-2-yl-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)N=C(C(=O)N2CC(=O)NC3=CC(=C(C=C3)OC)OC)C4=CC=CS4

DOS

IR

Vibrations