Geometry & MOs

Info

ID:

427751

PubChem CID:

135161987

Reduced:

SO2N6C21H24 (1)

Stoich.:

AB2C6D21E24 (1)

Weight, g/mol:

532.204588

ΔHf, kcal/mol:

45.27

Dipole, Da:

10.02

IP(EA), eV:

 -8.79(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[(3Z)-3-[amino-[[1-hydroxy-1-(trifluoromethyl)-2,3-dihydroinden-5-yl]amino]methylidene]-2-oxopyridin-4-yl]amino]-4-(cyanomethyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)SC1=CC=C(C=C1)NC2=C3C(=CC=NC3=O)N(N2)C(C#N)[C@H]4CCCOC4

DOS

IR

Vibrations