Geometry & MOs

Info

ID:

19314

PubChem CID:

560975

Reduced:

SN3O9C24H31 (1)

Stoich.:

AB3C9D24E31 (1)

Weight, g/mol:

537.178101

ΔHf, kcal/mol:

-373.97

Dipole, Da:

10.03

IP(EA), eV:

 -10.06(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC2C3C(C(O2)N4C=CC(=O)NC4=O)OC(O3)(C)C

DOS

IR

Vibrations