Geometry & MOs

Info

ID:	135700
PubChem CID:	51920006
Reduced:	SN3O5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	411.088892
ΔH_f, kcal/mol:	-115.43
Dipole, Da:	4.98
IP(EA), eV:	-9.37(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OCC(=O)NC1=C(C=CS1)C#N)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations