Geometry & MOs

Info

ID:	320350
PubChem CID:	126659650
Reduced:	ClFN2O9C26H30 (1)
Stoich.:	ABC2D9E26F30 (1)
Weight, g/mol:	225.116507
ΔH_f, kcal/mol:	-392.47
Dipole, Da:	4.79
IP(EA), eV:	-9.49(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol

Drug info:

PubChemData

Smile

CCOC(=O)OCOC(=O)C(CN(CC1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)F)NC(=O)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations