Geometry & MOs

Info

ID:	67607
PubChem CID:	46506805
Reduced:	FSN4O4C29H29 (1)
Stoich.:	ABC4D4E29F29 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-162.57
Dipole, Da:	1.8
IP(EA), eV:	-9.17(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate

Drug info:

PubChemData

Smile

C1CC(CCC1CN2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NC4=CC(=CC=C4)F)C(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations