Geometry & MOs

Info

ID:

149683

PubChem CID:

53789357

Reduced:

O4S4H30C51F68 (1)

Stoich.:

A4B4C30D51E68 (1)

Weight, g/mol:

434.075015

ΔHf, kcal/mol:

-3457.07

Dipole, Da:

4.9

IP(EA), eV:

 -9.02(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-hydroxy-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxochromen-5-yl] carbamate

Drug info:

PubChemData

Smile

C(CSCC(CC(=C(CC(=O)O)C(=O)O)CC(CSCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)SCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)SCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations