Geometry & MOs

Info

ID:	402983
PubChem CID:	135058153
Reduced:	NCl2H17C27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	498.05725
ΔH_f, kcal/mol:	121.07
Dipole, Da:	4.4
IP(EA), eV:	-8.97(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-azido-2-bromo-3-(3,4-dimethoxyphenyl)-1-(3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=C2C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations