Geometry & MOs

Info

ID:	38236
PubChem CID:	8028370
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	400.085483
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	5.89
IP(EA), eV:	-8.5(0.09)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3

DOS

IR

Vibrations