Geometry & MOs

Info

ID:	315004
PubChem CID:	126624159
Reduced:	SN2O4C26H36 (1)
Stoich.:	AB2C4D26E36 (1)
Weight, g/mol:	472.239579
ΔH_f, kcal/mol:	-157.86
Dipole, Da:	2.54
IP(EA), eV:	-8.32(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-4-methyl-2-[2-[(6-methylpyridin-3-yl)methylamino]ethyl]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)N(C)CCC2=C(C(=C(S2)C(C)C3CCC4(CC3)OCCO4)C)C(=O)OC

DOS

IR

Vibrations