Geometry & MOs

Info

ID:

421714

PubChem CID:

135116489

Reduced:

SN2O5C19H24 (1)

Stoich.:

AB2C5D19E24 (1)

Weight, g/mol:

533.227434

ΔHf, kcal/mol:

-155.96

Dipole, Da:

7.36

IP(EA), eV:

 -8.88(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-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

CC1=CC(=C(C=C1OC)S(=O)(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3)OC

DOS

IR

Vibrations