Geometry & MOs

Info

ID:

39757

PubChem CID:

8142177

Reduced:

SO2N3C21H26 (1)

Stoich.:

AB2C3D21E26 (1)

Weight, g/mol:

383.166748

ΔHf, kcal/mol:

-9.64

Dipole, Da:

2.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754926

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=CS3)C

DOS

IR

Vibrations