Geometry & MOs

Info

ID:	48642
PubChem CID:	11110223
Reduced:	BNSO2C18H22 (1)
Stoich.:	ABCD2E18F22 (1)
Weight, g/mol:	327.131802
ΔH_f, kcal/mol:	-121.9
Dipole, Da:	3.42
IP(EA), eV:	-8.39(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CSC3=CC=CC=N3

DOS

IR

Vibrations