Geometry & MOs

Info

ID:	44157
PubChem CID:	10501219
Reduced:	FeNOSiC21H35 (1)
Stoich.:	ABCDE21F35 (1)
Weight, g/mol:	401.183838
ΔH_f, kcal/mol:	-102.56
Dipole, Da:	2.47
IP(EA), eV:	-8.34(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,3S,4S,6S)-4-hydroxy-6-[(1R)-2-hydroxy-1-phenylethoxy]-2-methyloxan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC[C]1[CH][CH][CH][N]1.C[C]1[C]([C]([C]([C]1C)C)C)C.[Fe+2]

DOS

IR

Vibrations