Geometry & MOs

Info

ID:

426280

PubChem CID:

135143165

Reduced:

ON4H18C25 (1)

Stoich.:

AB4C18D25 (1)

Weight, g/mol:

527.23715

ΔHf, kcal/mol:

139.28

Dipole, Da:

1.4

IP(EA), eV:

 -8.77(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[3-amino-4-[amino(ethyl)amino]-2-methylphenyl]-2,2-dimethyl-3-[5-methyl-4-[(4-phosphanylphenyl)methoxymethyl]thiophen-2-yl]propanoate

Drug info:

PubChemData

Smile

C#CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CCC3=NC4=C5C=CNC5=NC=C4N3

DOS

IR

Vibrations