Geometry & MOs

Info

ID:	214529
PubChem CID:	85083157
Reduced:	N5O7C27H39 (1)
Stoich.:	A5B7C27D39 (1)
Weight, g/mol:	544.356234
ΔH_f, kcal/mol:	-287.53
Dipole, Da:	3.88
IP(EA), eV:	-8.73(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol;dihydrochloride

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NO)NC(=O)CCC(=O)O

DOS

IR

Vibrations