Geometry & MOs

Info

ID:	32418
PubChem CID:	7803324
Reduced:	NS2O4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-87.37
Dipole, Da:	4.46
IP(EA), eV:	-8.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate

Drug info:

PubChemData

Smile

C1COC(=O)[C@@H]1OC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations