Geometry & MOs

Info

ID:	245026
PubChem CID:	99432165
Reduced:	SN2O6C22H24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	444.135508
ΔH_f, kcal/mol:	-178.87
Dipole, Da:	5.65
IP(EA), eV:	-8.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[(2S)-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)[C@@H](CCSC)NC(=O)C3=CC=CO3

DOS

IR

Vibrations