Geometry & MOs

Info

ID:	314994
PubChem CID:	126624140
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	501.218509
ΔH_f, kcal/mol:	-149.7
Dipole, Da:	5.43
IP(EA), eV:	-8.68(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)C(=O)OC(C)(C)C)C2=C(C3=C(S2)CCNC3=O)C

DOS

IR

Vibrations