Geometry & MOs

Info

ID:

214714

PubChem CID:

85083459

Reduced:

SCl2N4O4C27H36 (1)

Stoich.:

AB2C4D4E27F36 (1)

Weight, g/mol:

510.230077

ΔHf, kcal/mol:

-151.45

Dipole, Da:

8.62

IP(EA), eV:

 -8.12(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(3,4,10,10a-tetrahydro-2H-[1,3]thiazino[3,2-a]benzimidazol-2-ylmethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)CC3CCN4C(S3)NC5=CC=CC=C54.Cl.Cl

DOS

IR

Vibrations