Geometry & MOs

Info

ID:

413968

PubChem CID:

135086920

Reduced:

PSN4O14C62H62 (1)

Stoich.:

ABC4D14E62F62 (1)

Weight, g/mol:

353.141579

ΔHf, kcal/mol:

-446.72

Dipole, Da:

6.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.766833

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P+](=S)OC3CC(OC3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=C(C(=O)NC7=O)C)OC(C8=CC=CC=C8)(C9=CC=C(C=C9)OC)C1=CC=C(C=C1)OC

DOS

IR

Vibrations