Geometry & MOs

Info

ID:	67734
PubChem CID:	46507060
Reduced:	FSN4O4C24H27 (1)
Stoich.:	ABC4D4E24F27 (1)
Weight, g/mol:	498.193691
ΔH_f, kcal/mol:	-163.3
Dipole, Da:	1.84
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(4-methoxyanilino)-2-oxoethyl]-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)F)C4=CC=CS4

DOS

IR

Vibrations