Geometry & MOs

Info

ID:

170338

PubChem CID:

75218786

Reduced:

OCl2N4H16C18 (1)

Stoich.:

AB2C4D16E18 (1)

Weight, g/mol:

627.311581

ΔHf, kcal/mol:

11.76

Dipole, Da:

5.48

IP(EA), eV:

 -8.82(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[[1-[bis[3-(2-methoxyethoxy)prop-1-ynyl]boranyl]-3,5-dimethylpyrrol-2-yl]-(3,5-dimethylpyrrol-2-ylidene)methyl]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=CC=C(C=C2)Cl)C(=O)NC3=NC4=C(N3)C=C(C=C4)Cl

DOS

IR

Vibrations