Geometry & MOs

Info

ID:

307459

PubChem CID:

125299987

Reduced:

BrOSN5H14C17 (1)

Stoich.:

ABCD5E14F17 (1)

Weight, g/mol:

522.193691

ΔHf, kcal/mol:

146.32

Dipole, Da:

1.95

IP(EA), eV:

 -8.93(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5S)-N-[(2S)-3-(2H-indol-3-yl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1C=C(S[C@H]1Br)C2=NN=C(C2)C(=O)N/N=C\C3=C4C=CC=CC4=NC3

DOS

IR

Vibrations