Geometry & MOs

Info

ID:	217481
PubChem CID:	85087885
Reduced:	O7H16C20 (1)
Stoich.:	A7B16C20 (1)
Weight, g/mol:	368.100836
ΔH_f, kcal/mol:	-198.19
Dipole, Da:	5.73
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CC3C(OC(=O)C3=CC4=CC5=C(C=C4)OCO5)O

DOS

IR

Vibrations