Geometry & MOs

Info

ID:

185120

PubChem CID:

77257142

Reduced:

BrF3N4O4C34H34 (1)

Stoich.:

AB3C4D4E34F34 (1)

Weight, g/mol:

456.217284

ΔHf, kcal/mol:

-256.2

Dipole, Da:

2.11

IP(EA), eV:

 -8.56(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CCC(=O)CCCCCC(C1=NC(=C[NH2+]1)C2=CC3=CC=CC=C3C=C2)NC(=O)CC4=CNC5=C4C=C(C=C5)Br.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations