Geometry & MOs

Info

ID:

435163

PubChem CID:

135182856

Reduced:

ClN5O7C21H22 (1)

Stoich.:

AB5C7D21E22 (1)

Weight, g/mol:

1405.09499

ΔHf, kcal/mol:

-214.6

Dipole, Da:

2.59

IP(EA), eV:

 -9.4(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(Z)-non-2-enyl] 4-[3-(diethylamino)propylsulfanylcarbonyl-[4-[(Z)-26-[4-[2-(dimethylamino)ethylsulfanylcarbonyl-(4-heptadecan-9-yloxy-4-oxobutyl)amino]butanoyloxy]hexacos-24-en-9-yl]oxy-4-oxobutyl]amino]butanoate

Drug info:

PubChemData

Smile

CC1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=C(N=C32)Cl)N)COC(CC4=CC=CC=C4)(C(=O)O)C(=O)O

DOS

IR

Vibrations