Geometry & MOs

Info

ID:	312473
PubChem CID:	126605574
Reduced:	ClFSO3N7C25H29 (1)
Stoich.:	ABCD3E7F25G29 (1)
Weight, g/mol:	275.090606
ΔH_f, kcal/mol:	-98.52
Dipole, Da:	2.32
IP(EA), eV:	-8.58(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-4-(azidomethyl)-5-oxooxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCC(C1)NC(=O)C2=CN(C3=NC=C(N=C23)C(=N)C4=C(C=C(C=C4)Cl)NC)SF

DOS

IR

Vibrations