Geometry & MOs

Info

ID:	177078
PubChem CID:	76133073
Reduced:	N5O8C44H83 (1)
Stoich.:	A5B8C44D83 (1)
Weight, g/mol:	458.324354
ΔH_f, kcal/mol:	-471.33
Dipole, Da:	5.7
IP(EA), eV:	-9.53(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5,6,7-tetrahydroxy-2-oxoheptan-3-yl) octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCN(C(=O)CCCCCCCC=CCCCCCCCC)C1(CC(C(C(O1)CO)O)O)N(C(=O)CN)C(=O)CNC(=O)CN

DOS

IR

Vibrations