Geometry & MOs

Info

ID:

170339

PubChem CID:

75218787

Reduced:

BN3O7C35H42 (1)

Stoich.:

AB3C7D35E42 (1)

Weight, g/mol:

944.416059

ΔHf, kcal/mol:

-159.05

Dipole, Da:

2.55

IP(EA), eV:

 -8.65(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[1-[bis[3-[2-[2-(diethoxyphosphorylmethoxy)ethoxy]ethoxy]prop-1-ynyl]boranyl]-3,5-dimethylpyrrol-2-yl]-(3,5-dimethylpyrrol-2-ylidene)methyl]benzoate

Drug info:

PubChemData

Smile

B(C#CCOCCOC)(C#CCOCCOC)N1C(=CC(=C1C(=C2C(=CC(=N2)C)C)C3=CC=C(C=C3)C(=O)NCCC(=O)O)C)C

DOS

IR

Vibrations