Geometry & MOs

Info

ID:	149820
PubChem CID:	53789497
Reduced:	O5C24H30 (1)
Stoich.:	A5B24C30 (1)
Weight, g/mol:	343.126717
ΔH_f, kcal/mol:	-215.68
Dipole, Da:	4.09
IP(EA), eV:	-8.47(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCC(=O)OC1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C(=CC(=C4)OC)OC(=O)C)C

DOS

IR

Vibrations