Geometry & MOs

Info

ID:

442027

PubChem CID:

135248089

Reduced:

SO3N5C27H31 (1)

Stoich.:

AB3C5D27E31 (1)

Weight, g/mol:

478.215095

ΔHf, kcal/mol:

-28.04

Dipole, Da:

3.58

IP(EA), eV:

 -8.42(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(3R)-3-aminopiperidin-1-yl]methylideneamino]-2-N-[(2-cyanophenyl)methyl]-4-N-(cyclopropylmethyl)-2-N-methylthiophene-2,4-dicarboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1C#N)C(=O)C2=C(C=C(S2)C(=O)N3CCC(CC3)C=O)N=CN4CCCCC4

DOS

IR

Vibrations