Geometry & MOs

Info

ID:

426290

PubChem CID:

135143188

Reduced:

O3N8C18H24 (1)

Stoich.:

A3B8C18D24 (1)

Weight, g/mol:

492.053

ΔHf, kcal/mol:

-55.5

Dipole, Da:

4.17

IP(EA), eV:

 -8.8(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,4R,5S)-4-(5-bromo-2-fluorophenyl)-1-(fluoromethyl)-4-methyl-8,8-dioxo-8lambda6-thia-3-azabicyclo[3.2.1]oct-2-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(NC3=NC=C(C=C3)N4CCNCC4)O

DOS

IR

Vibrations