Geometry & MOs

Info

ID:

49708

PubChem CID:

11533619

Reduced:

NOF3C13H14 (2)

Stoich.:

ABC3D13E14 (2)

Weight, g/mol:

514.228831

ΔHf, kcal/mol:

-373.97

Dipole, Da:

6.21

IP(EA), eV:

 -8.81(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[[4-[[(2R)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]quinoline-3-carbonyl]amino]-5-amino-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@H]3CN2CCN3C(=O)C)C4=CC=CC=C4

DOS

IR

Vibrations