Geometry & MOs

Info

ID:	327940
PubChem CID:	126691439
Reduced:	INO12C50H76 (1)
Stoich.:	ABC12D50E76 (1)
Weight, g/mol:	527.543001
ΔH_f, kcal/mol:	-389.52
Dipole, Da:	2.37
IP(EA), eV:	-8.05(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z,9Z,31Z)-heptatriaconta-6,9,31-trien-19-imine

Drug info:

Smile

C[C@@H]1CC[C@H]2CC(/C(=C\C=C\C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)C3CCCCN3C(=O)C(=O)[C@@]1(O2)O)C(C)C[C@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)I

DOS

IR

Vibrations