Geometry & MOs

Info

ID:	159262
PubChem CID:	57269360
Reduced:	ClSO5N6C20H21 (1)
Stoich.:	ABC5D6E20F21 (1)
Weight, g/mol:	364.282489
ΔH_f, kcal/mol:	-107.29
Dipole, Da:	1.49
IP(EA), eV:	-8.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-hydroxypropyl)hexadecane-1,6,7,8,16-pentol

Drug info:

PubChemData

Smile

CC(COC1=NC2=CC=CC=C2S1)NC3=C4C(=NC(=N3)Cl)N(C=N4)[C@H]5C(C([C@H](O5)CO)O)O

DOS

IR

Vibrations