Geometry & MOs

Info

ID:	315021
PubChem CID:	126624189
Reduced:	SN4O4C29H44 (1)
Stoich.:	AB4C4D29E44 (1)
Weight, g/mol:	403.04529
ΔH_f, kcal/mol:	-143.37
Dipole, Da:	9.16
IP(EA), eV:	-8.47(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-5-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N2CC(C2)OC)C3=C(C(=C(S3)CCNCC4=C(N=C(C=C4C)C)OC)C(=O)O)C

DOS

IR

Vibrations