Geometry & MOs

Info

ID:	135701
PubChem CID:	51920007
Reduced:	SN3O5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	454.210387
ΔH_f, kcal/mol:	-114.63
Dipole, Da:	9.74
IP(EA), eV:	-9.42(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] (2S)-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