Geometry & MOs

Info

ID:

142089

PubChem CID:

52978672

Reduced:

SN3O3C26H27 (1)

Stoich.:

AB3C3D26E27 (1)

Weight, g/mol:

479.143426

ΔHf, kcal/mol:

7.91

Dipole, Da:

7.01

IP(EA), eV:

 -8.75(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(3-methylphenyl)-4a,5,6,7,8,8a-hexahydrochromene-3-carboxamide

Drug info:

PubChemData

Smile

COC1CCC2C(C1)C=C(/C(=N/C3=C(C4=C(S3)CCCC4)C#N)/O2)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations