Geometry & MOs

Info

ID:	150588
PubChem CID:	53790281
Reduced:	ClN3O6C31H40 (1)
Stoich.:	AB3C6D31E40 (1)
Weight, g/mol:	232.131074
ΔH_f, kcal/mol:	-210.86
Dipole, Da:	4.25
IP(EA), eV:	-8.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

Drug info:

PubChemData

Smile

CCOCCOC1=CC=C(C=C1)C[C@@H](C)N(CC(COC2=CC=C(C=C2)NC(=O)C)O)CC(C3=NC(=CC=C3)Cl)O

DOS

IR

Vibrations