Geometry & MOs

Info

ID:

321976

PubChem CID:

126667630

Reduced:

FNO3H8C16 (1)

Stoich.:

ABC3D8E16 (1)

Weight, g/mol:

1021.307654

ΔHf, kcal/mol:

-63.04

Dipole, Da:

6.84

IP(EA), eV:

 -9.92(-1.76)

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-methoxyphenoxy]cyclopentyl]oxy-2-nitrophenyl]methoxy]-2-oxochromene-3-carbonyl]amino]cyclohexyl]-(carboxymethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=C3C(=CC(=C2)C#N)C=CO3)F)C(=O)O

DOS

IR

Vibrations