Geometry & MOs

Info

ID:

311845

PubChem CID:

126598341

Reduced:

FCl2O2N7C24H30 (1)

Stoich.:

AB2C2D7E24F30 (1)

Weight, g/mol:

642.23595

ΔHf, kcal/mol:

-100.13

Dipole, Da:

2.41

IP(EA), eV:

 -8.68(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S)-4-[4-(carboxymethyl)phenoxy]-1-[(2R)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC[C@H](CCC(=O)N)N1C2=NC(=NC=C2N=C1NC3=C(C=C(C=C3Cl)F)Cl)N[C@@H]4CCC[C@H](C4)O

DOS

IR

Vibrations