Geometry & MOs

Info

ID:

169429

PubChem CID:

75103341

Reduced:

N2O3C20H32 (1)

Stoich.:

A2B3C20D32 (1)

Weight, g/mol:

916.488734

ΔHf, kcal/mol:

-158.57

Dipole, Da:

5.28

IP(EA), eV:

 -8.63(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(27,35,40-trimethyl-13,22,43-trioxo-23-oxa-3,14,15,44,45-pentazanonacyclo[45.2.2.117,21.124,28.03,12.05,10.027,32.031,36.035,39]tripentaconta-1(49),5,7,9,15,17(53),18,20,45,47,50-undecaen-30-yl) pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CCCCC(=O)CCCCCC1=CC=C(C=C1)NC(=O)C(C(C)O)N

DOS

IR

Vibrations