Geometry & MOs

Info

ID:	159707
PubChem CID:	57288650
Reduced:	SC6H13 (2)
Stoich.:	AB6C13 (2)
Weight, g/mol:	448.184566
ΔH_f, kcal/mol:	-56.51
Dipole, Da:	2.37
IP(EA), eV:	-9.0(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R,3S,4R,5R)-6-[(4-formamidophenyl)methoxy]-2,3,4,5-tetrahydroxy-2-(hydroxymethyl)hexyl]phenyl]formamide

Drug info:

PubChemData

Smile

CCCCCCCC(CCCCS)S

DOS

IR

Vibrations