Geometry & MOs

Info

ID:

302558

PubChem CID:

124385074

Reduced:

NOC8H10 (2)

Stoich.:

ABC8D10 (2)

Weight, g/mol:

508.246789

ΔHf, kcal/mol:

-44.2

Dipole, Da:

5.57

IP(EA), eV:

 -8.76(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1([C@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N3CCCC3)O)C

DOS

IR

Vibrations