Geometry & MOs

Info

ID:

426231

PubChem CID:

135142818

Reduced:

N2H42C53 (1)

Stoich.:

A2B42C53 (1)

Weight, g/mol:

587.281778

ΔHf, kcal/mol:

207.54

Dipole, Da:

1.96

IP(EA), eV:

 -7.84(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 3-[3-amino-4-(ethylamino)-2-methylphenyl]-3-[4-[(4-methoxyphenyl)methoxymethyl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1C=CC(CC1C2=CC=CC(=C2)C3=C4C=CCC5C4=C(C=C3)C6=CC=CC=C56)C7=CC(=CC=C7)C8NC9=CC=CC1=C9N8C2CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations