Geometry & MOs

Info

ID:

164496

PubChem CID:

74406968

Reduced:

ClSO3N4C22H28 (1)

Stoich.:

ABC3D4E22F28 (1)

Weight, g/mol:

644.216868

ΔHf, kcal/mol:

-21.81

Dipole, Da:

13.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.970668

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C[N+](C)(C)CCCN1C(=O)C2C3CCCN3C(C2C1=O)C4=NOC(=C4)C5=CC=C(S5)Cl

DOS

IR

Vibrations