Geometry & MOs

Info

ID:

447074

PubChem CID:

135280063

Reduced:

BrNH24C35 (1)

Stoich.:

ABC24D35 (1)

Weight, g/mol:

666.308721

ΔHf, kcal/mol:

146.98

Dipole, Da:

1.85

IP(EA), eV:

 -7.86(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-[4-(methylsulfonyloxymethyl)phenyl]anilino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3N(C4=CC=CC=C42)C5=CC=CC6=C5C(=CC=C6)Br)C7=CC=CC=C7

DOS

IR

Vibrations