Geometry & MOs

Info

ID:

174711

PubChem CID:

75806486

Reduced:

FN2O6H20C23 (1)

Stoich.:

AB2C6D20E23 (1)

Weight, g/mol:

381.192666

ΔHf, kcal/mol:

-163.84

Dipole, Da:

12.0

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.849854

Charge, e:

 1

Chem-info

IUPAC name:

dimethyl-[2-[[2-[(1-methyl-2-oxo-3H-indol-3-yl)amino]-2-oxoacetyl]amino]-1-phenylethyl]azanium

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2CC(=O)NC3=C2N(C=C3C(=O)[O-])C4=CC(=CC=C4)F

DOS

IR

Vibrations