Geometry & MOs

Info

ID:

230611

PubChem CID:

87571479

Reduced:

SCl2O4N5C23H30 (1)

Stoich.:

AB2C4D5E23F30 (1)

Weight, g/mol:

322.238628

ΔHf, kcal/mol:

-53.85

Dipole, Da:

4.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759814

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)N(CC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)NOC)[O-])Cl)Cl

DOS

IR

Vibrations