Geometry & MOs

Info

ID:

43106

PubChem CID:

10318573

Reduced:

FO3N4C21H21 (1)

Stoich.:

AB3C4D21E21 (1)

Weight, g/mol:

396.146741

ΔHf, kcal/mol:

-104.26

Dipole, Da:

10.5

IP(EA), eV:

 -8.67(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,6S)-4-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]-3-(2-cyanoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)N

DOS

IR

Vibrations