Geometry & MOs

Info

ID:

46390

PubChem CID:

10524207

Reduced:

O2N4H22C23 (1)

Stoich.:

A2B4C22D23 (1)

Weight, g/mol:

386.151158

ΔHf, kcal/mol:

68.62

Dipole, Da:

4.12

IP(EA), eV:

 -9.33(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,6R)-6-ethylsulfanyl-1-[(S)-hydroxy-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl]-5-methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione

Drug info:

PubChemData

Smile

COC(=O)[C@H](CN=[N+]=[N-])NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations