Geometry & MOs

Info

ID:	318480
PubChem CID:	126651481
Reduced:	SN5O7C23H29 (1)
Stoich.:	AB5C7D23E29 (1)
Weight, g/mol:	188.97893
ΔH_f, kcal/mol:	-128.27
Dipole, Da:	5.53
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-3-(2-bromoethynyl)azetidin-2-yl]methanol

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC#CCOC(=O)N3CCN(CC3)C)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations