Geometry & MOs

Info

ID:	157462
PubChem CID:	56430316
Reduced:	SN2O5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	407.173273
ΔH_f, kcal/mol:	-179.47
Dipole, Da:	5.58
IP(EA), eV:	-9.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoylamino]ethyl 3-(phenoxymethyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCCOC(=O)C2=CC(=CC=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations