Geometry & MOs

Info

ID:

321990

PubChem CID:

126667683

Reduced:

OH28C46 (1)

Stoich.:

AB28C46 (1)

Weight, g/mol:

1020.323638

ΔHf, kcal/mol:

160.92

Dipole, Da:

1.28

IP(EA), eV:

 -8.3(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[7-[[5-[bis(carboxymethyl)amino]-4-[2-[2-[bis(carboxymethyl)amino]-5-pyrrolidin-1-ylphenoxy]ethoxy]-2-nitrophenyl]methoxy]-2-oxochromene-3-carbonyl]amino]cyclohexyl]-(carboxymethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=CC8=C(C=C7)OC9=CC=CC=C98)C1=CC=CC=C12

DOS

IR

Vibrations