Geometry & MOs

Info

ID:

421208

PubChem CID:

135115560

Reduced:

FN4O4C19H23 (1)

Stoich.:

AB4C4D19E23 (1)

Weight, g/mol:

553.209197

ΔHf, kcal/mol:

-134.11

Dipole, Da:

2.46

IP(EA), eV:

 -9.19(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-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

CN(C)C1=NOC(=C1C(=O)N2CCCC(C2)C(=O)N)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations