Geometry & MOs

Info

ID:

147076

PubChem CID:

53786692

Reduced:

N3O6C38H45 (1)

Stoich.:

A3B6C38D45 (1)

Weight, g/mol:

480.286232

ΔHf, kcal/mol:

-200.53

Dipole, Da:

8.04

IP(EA), eV:

 -8.74(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[3-[(2-methylpropan-2-yl)oxycarbonyl-[(Z)-(1,3,3-trimethyl-3a,7a-dihydroindol-1-ium-2-yl)methylideneamino]amino]phenyl] 2-methylbutanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)N[C@@H](COCC5=CC=CC=C5)C=O

DOS

IR

Vibrations