Geometry & MOs

Info

ID:	160387
PubChem CID:	57309735
Reduced:	SN2O6C11H24 (1)
Stoich.:	AB2C6D11E24 (1)
Weight, g/mol:	492.150821
ΔH_f, kcal/mol:	-263.51
Dipole, Da:	4.29
IP(EA), eV:	-9.19(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[9,10-dioxo-5-(2,2,2-trifluoroacetyl)oxyanthracen-1-yl]amino]pentyl (2S)-2-aminopropanoate

Drug info:

PubChemData

Smile

C1CN(CCN1CCOCC(CO)O)CCS(=O)(=O)O

DOS

IR

Vibrations