Geometry & MOs

Info

ID:	392762
PubChem CID:	135017878
Reduced:	ClNOH18C27 (1)
Stoich.:	ABCD18E27 (1)
Weight, g/mol:	254.01537
ΔH_f, kcal/mol:	94.42
Dipole, Da:	6.71
IP(EA), eV:	-8.67(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-3-bromo-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/2\C3=CC=CC=C3C(=NC4=CC=CC=C4)O2)/C5=CC=C(C=C5)Cl

DOS

IR

Vibrations