Geometry & MOs

Info

ID:

417399

PubChem CID:

135093190

Reduced:

FSO3N4C16H21 (1)

Stoich.:

ABC3D4E16F21 (1)

Weight, g/mol:

573.258734

ΔHf, kcal/mol:

-130.61

Dipole, Da:

6.31

IP(EA), eV:

 -9.2(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCNC(=O)CNS(=O)(=O)C2=C(C=C(C=C2)F)C

DOS

IR

Vibrations