Geometry & MOs

Info

ID:

441351

PubChem CID:

135234298

Reduced:

SN4O10C17H30 (1)

Stoich.:

AB4C10D17E30 (1)

Weight, g/mol:

832.323913

ΔHf, kcal/mol:

-420.02

Dipole, Da:

6.8

IP(EA), eV:

 -9.35(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[2-[[4-(2-aminoethylamino)-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid

Drug info:

PubChemData

Smile

CSN(CCN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations