Geometry & MOs

Info

ID:

343311

PubChem CID:

127266484

Reduced:

PSN2O5H33C36 (1)

Stoich.:

ABC2D5E33F36 (1)

Weight, g/mol:

635.19424

ΔHf, kcal/mol:

-97.52

Dipole, Da:

7.4

IP(EA), eV:

 -8.49(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[phenyl-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]phosphinothioyl]oxyphenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC\1(C2=CC=CC=C2N(/C1=C\P(=S)(C3=CC=CC=C3)OC4=CC=C(C=C4)C=C5C(=O)OC(=N5)C6=CC(=C(C=C6)OC)OC)C)C

DOS

IR

Vibrations