Geometry & MOs

Info

ID:	185102
PubChem CID:	77255650
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	432.345089
ΔH_f, kcal/mol:	22.65
Dipole, Da:	3.95
IP(EA), eV:	-9.2(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-2-(16-methylheptadecyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1NC(=O)C2=CC=CN2C)N(C)C(=O)C3=CN=NC4=CC=CC=C43

DOS

IR

Vibrations