Geometry & MOs

Info

ID:

178375

PubChem CID:

76317656

Reduced:

BrO2N6H19C25 (1)

Stoich.:

AB2C6D19E25 (1)

Weight, g/mol:

481.149852

ΔHf, kcal/mol:

74.28

Dipole, Da:

3.23

IP(EA), eV:

 -9.06(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3'R,4'R)-4'-(1H-imidazol-2-yl)-3'-(1H-indole-3-carbonyl)-1'-methyl-5-nitro-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carbonitrile

Drug info:

PubChemData

Smile

CN1C[C@@H]([C@@]([C@]12C3=C(C=CC(=C3)Br)NC2=O)(C#N)C(=O)C4=CNC5=CC=CC=C54)C6=NC=CN6

DOS

IR

Vibrations