Geometry & MOs

Info

ID:	176382
PubChem CID:	76040316
Reduced:	N2O21C35H60 (2)
Stoich.:	A2B21C35D60 (2)
Weight, g/mol:	676.600576
ΔH_f, kcal/mol:	-1937.47
Dipole, Da:	15.98
IP(EA), eV:	-9.82(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hexadec-9-enoyloxy-3-hydroxypropyl) tetracos-15-enoate

Drug info:

Smile

CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)OC7(CC(C(C(O7)C(C(CO)O)O)NC(=O)CO)O)C(=O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O)NC=O)O

DOS

IR

Vibrations