Geometry & MOs

Info

ID:	67737
PubChem CID:	46507069
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	477.128919
ΔH_f, kcal/mol:	-75.02
Dipole, Da:	2.96
IP(EA), eV:	-9.2(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2-chloro-4-fluorophenyl)methyl]-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)N2CC3=CC=CC=C3)C4=CC=CS4

DOS

IR

Vibrations