Geometry & MOs

Info

ID:

163169

PubChem CID:

57648317

Reduced:

NH34C40 (2)

Stoich.:

AB34C40 (2)

Weight, g/mol:

381.132471

ΔHf, kcal/mol:

211.75

Dipole, Da:

2.72

IP(EA), eV:

 -7.8(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,4S,5R)-5-(azidomethyl)-4-benzoyloxy-2-methyloxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2=CC(=CC=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C4(C)C)C6=CC7=C(C=C6)C8=CC=CC=C8C7(C)C)C)C9=CC(=CC=C9)N(C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C

DOS

IR

Vibrations