Geometry & MOs

Info

ID:

180158

PubChem CID:

76586277

Reduced:

O2C23H32 (1)

Stoich.:

A2B23C32 (1)

Weight, g/mol:

1381.211825

ΔHf, kcal/mol:

-57.84

Dipole, Da:

4.52

IP(EA), eV:

-8.87(-0.13)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[2-[3-[2-[2-[2-[2-[2-aminoethyl-[2-[tert-butyl-[2-[[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]ethyl]amino]ethyl]amino]ethyl-[2-(tert-butylamino)ethyl]amino]ethyl-[2-(tert-butylamino)ethyl]amino]ethyl-[2-(tert-butylamino)ethyl]amino]ethylamino]propanoyloxy]ethyl-octadec-9-enoylamino]ethyl 4,4-dimethylpentanoate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C=C)C)C

DOS

IR

Vibrations