Geometry & MOs

Info

ID:

427544

PubChem CID:

135159754

Reduced:

FSN3O4C20H22 (1)

Stoich.:

ABC3D4E20F22 (1)

Weight, g/mol:

533.076981

ΔHf, kcal/mol:

-143.93

Dipole, Da:

5.76

IP(EA), eV:

 -9.25(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3S,6S)-3-(2-chloro-3,4-difluorophenyl)-1-(C-methylsulfanyl-N-prop-1-en-2-ylcarbonimidoyl)-6-(sulfamoylamino)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)F)C)C3=NC=CS3)COCCO

DOS

IR

Vibrations