Geometry & MOs

Info

ID:

49880

PubChem CID:

11534096

Reduced:

ClSO3N6C27H29 (1)

Stoich.:

ABC3D6E27F29 (1)

Weight, g/mol:

553.268905

ΔHf, kcal/mol:

-6.03

Dipole, Da:

7.44

IP(EA), eV:

 -8.58(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-tert-butyl-1-methyl-3-[[4-[1-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)CC(=O)N1CCC[C@@H]1COC2=CC=CC3=C2C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CN=CS5)Cl

DOS

IR

Vibrations