Geometry & MOs

Info

ID:	318606
PubChem CID:	126652234
Reduced:	N2O2C9H13 (2)
Stoich.:	A2B2C9D13 (2)
Weight, g/mol:	526.279135
ΔH_f, kcal/mol:	-105.11
Dipole, Da:	5.07
IP(EA), eV:	-9.53(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[6-[(2S,4R,5S)-3-azido-5-hydroxy-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexyl]carbamate

Drug info:

PubChemData

Smile

CCC1[C@H]([C@@H](C(C(O1)OCNC(=O)OCC2=CC=CC=C2)N=[N+]=[N-])C)C

DOS

IR

Vibrations