Geometry & MOs

Info

ID:	193140
PubChem CID:	78349905
Reduced:	SP3N7O16C21H42 (1)
Stoich.:	AB3C7D16E21F42 (1)
Weight, g/mol:	1080.977753
ΔH_f, kcal/mol:	-880.55
Dipole, Da:	12.36
IP(EA), eV:	-8.83(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane-1,2-diol;(3-hydroxy-2-nonanoyloxypropyl) pentadecanoate;tetradecane;tridecane;decahydrate

Drug info:

PubChemData

Smile

CC1(COC(C1O)NCCC(=O)NCCS)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3CNC4=C(NCNC43)N)O)OP(=O)(O)O

DOS

IR

Vibrations