Geometry & MOs

Info

ID:

430344

PubChem CID:

135170408

Reduced:

OC5H5 (4)

Stoich.:

AB5C5 (4)

Weight, g/mol:

1377.499705

ΔHf, kcal/mol:

-99.36

Dipole, Da:

2.01

IP(EA), eV:

 -8.56(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-2-[4-[[4-(5-azidopentanoylamino)-7-[4-[(2S)-2-carboxy-2-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]ethyl]anilino]-4-[3-[4-[(2S)-2-carboxy-2-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]ethyl]anilino]-3-oxopropyl]-7-oxoheptanoyl]amino]phenyl]-1-carboxyethyl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CC#CC1=CC(=C(C=C1)C2C(=O)[C@@H]3[C@H](C2=O)C4(CCC3O4)C)OC

DOS

IR

Vibrations