Geometry & MOs

Info

ID:

181724

PubChem CID:

76783311

Reduced:

SSiO7N8C43H54 (1)

Stoich.:

ABC7D8E43F54 (1)

Weight, g/mol:

433.1001

ΔHf, kcal/mol:

-213.46

Dipole, Da:

9.41

IP(EA), eV:

 -8.2(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[(2-amino-6-bromonaphthalen-1-yl)carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1C[Si](CC1C2=NC3=C(N2)C=C4C=C(SC4=C3)C5=CC6C(C=C5)C=C(O6)C7=CN=C(N7)C8CCCN8C(=O)C(C(C)C)NC(=O)OC)(C)C)NC(=O)CO

DOS

IR

Vibrations