Geometry & MOs

Info

ID:	79677
PubChem CID:	49829941
Reduced:	SN2O3C24H24 (1)
Stoich.:	AB2C3D24E24 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-53.75
Dipole, Da:	2.77
IP(EA), eV:	-8.68(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(1-methylidene-3-oxoisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(COCC4=CC=CC=C4)O

DOS

IR

Vibrations