Geometry & MOs

Info

ID:	245025
PubChem CID:	99432162
Reduced:	NO6C23H25 (1)
Stoich.:	AB6C23D25 (1)
Weight, g/mol:	444.135508
ΔH_f, kcal/mol:	-187.33
Dipole, Da:	3.11
IP(EA), eV:	-8.29(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[(2R)-2-(furan-2-carbonylamino)-4-methylsulfanylbutanoyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)CCCOC3=CC=C(C=C3)OC

DOS

IR

Vibrations