Geometry & MOs

Info

ID:

414295

PubChem CID:

135087251

Reduced:

ClN2O3C19H21 (1)

Stoich.:

AB2C3D19E21 (1)

Weight, g/mol:

549.258734

ΔHf, kcal/mol:

-88.61

Dipole, Da:

1.7

IP(EA), eV:

 -9.19(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-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

CC1=C(C=CC(=C1)Cl)OCC(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations