Geometry & MOs

Info

ID:

381825

PubChem CID:

134972662

Reduced:

N3O4C32H33 (1)

Stoich.:

A3B4C32D33 (1)

Weight, g/mol:

635.245392

ΔHf, kcal/mol:

-120.76

Dipole, Da:

3.05

IP(EA), eV:

 -8.06(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[1-[2-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]naphthalen-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)NC(=O)[C@@H]5CCCN5C(=O)OC(C)(C)C

DOS

IR

Vibrations