Geometry & MOs

Info

ID:

214713

PubChem CID:

85083457

Reduced:

P3S3N5O10C12H20 (1)

Stoich.:

A3B3C5D10E12F20 (1)

Weight, g/mol:

582.183432

ΔHf, kcal/mol:

-576.23

Dipole, Da:

7.52

IP(EA), eV:

 -9.13(-0.93)

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;dihydrochloride

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=S)(OP(=O)(O)OP(=O)(O)O)SCCS)O

DOS

IR

Vibrations