Geometry & MOs

Info

ID:	35768
PubChem CID:	7980303
Reduced:	N2O5H20C23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	417.124609
ΔH_f, kcal/mol:	-125.31
Dipole, Da:	3.99
IP(EA), eV:	-9.05(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6R)-6-methyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations