Geometry & MOs

Info

ID:

422994

PubChem CID:

135118742

Reduced:

ClSN2O4C15H19 (1)

Stoich.:

ABC2D4E15F19 (1)

Weight, g/mol:

517.268905

ΔHf, kcal/mol:

-87.88

Dipole, Da:

9.53

IP(EA), eV:

 -9.16(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10S,14S)-12-[(1-ethylpyrazol-4-yl)methyl]-2,9-dioxa-12,15,19-triazatetracyclo[21.2.2.13,7.010,14]octacosa-1(25),3,5,7(28),23,26-hexaene-16,20-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C)Cl

DOS

IR

Vibrations