Geometry & MOs

Info

ID:	383452
PubChem CID:	134975185
Reduced:	BrNSH10C15 (1)
Stoich.:	ABCD10E15 (1)
Weight, g/mol:	218.115424
ΔH_f, kcal/mol:	88.23
Dipole, Da:	2.18
IP(EA), eV:	-9.21(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3S2)\Br

DOS

IR

Vibrations