Geometry & MOs

Info

ID:

439513

PubChem CID:

135229288

Reduced:

ON4H48C50 (1)

Stoich.:

AB4C48D50 (1)

Weight, g/mol:

2753.590379

ΔHf, kcal/mol:

119.27

Dipole, Da:

1.05

IP(EA), eV:

 -7.73(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[7-butyl-9-[19-[17-[10-[3-(dimethylamino)propyl-nonanoylamino]-19-oxo-19-tridecan-7-yloxynonadecanoyl]oxy-13-ethyl-12-methyltricosan-7-yl]oxy-10-[3-(dimethylamino)propyl-octanoylamino]-19-oxononadecanoyl]oxy-2-hexylpentadecyl] 19-O-(2-butyloctyl) 10-[3-(dimethylamino)propyl-nonanoylamino]nonadecanedioate

Drug info:

PubChemData

Smile

CC1(C2=C(C(=CC=C2)N3C4=C(C=C(C=C4)C(C)(C)C)C5=C3C=CC(=C5)C(C)(C)C)OC6=C(C=CC=C61)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CCCC=C9)C

DOS

IR

Vibrations