Geometry & MOs

Info

ID:	59029
PubChem CID:	24770373
Reduced:	ClSN2O2C32H61 (1)
Stoich.:	ABC2D2E32F61 (1)
Weight, g/mol:	350.111401
ΔH_f, kcal/mol:	-127.41
Dipole, Da:	10.39
IP(EA), eV:	-7.69(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl

DOS

IR

Vibrations