Geometry & MOs

Info

ID:

328528

PubChem CID:

126724194

Reduced:

N2O5C27H28 (1)

Stoich.:

A2B5C27D28 (1)

Weight, g/mol:

1243.815547

ΔHf, kcal/mol:

-154.71

Dipole, Da:

3.24

IP(EA), eV:

 -9.16(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1R)-1-[(3S,6S,9S,12S,18S,21R,24S,27S,30S,33R)-18-ethyl-21-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,7,13,16,22,25,28,31,33,34-decamethyl-6,30-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-9,24-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[25.6.2]pentatriacontan-12-yl]ethoxy]butanal

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=NC=CC(=C3)C(=O)O

DOS

IR

Vibrations