Geometry & MOs

Info

ID:	138542
PubChem CID:	52382923
Reduced:	PSN2O3H23C25 (1)
Stoich.:	ABC2D3E23F25 (1)
Weight, g/mol:	214.03571
ΔH_f, kcal/mol:	-61.18
Dipole, Da:	2.77
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-bromo-1-(3,3-dimethylbut-1-ynyl)-1-methylcyclopropane

Drug info:

PubChemData

Smile

CCOC(=C1C(=C)N([P+](=O)N(C1=S)C2=CC=CC3=CC=CC=C32)C4=C(C=CC=C4C)C)[O-]

DOS

IR

Vibrations