Geometry & MOs

Info

ID:

423150

PubChem CID:

135119019

Reduced:

SN2O4C18H22 (1)

Stoich.:

AB2C4D18E22 (1)

Weight, g/mol:

683.263438

ΔHf, kcal/mol:

-114.85

Dipole, Da:

7.94

IP(EA), eV:

 -9.65(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-5-(2-chloro-6-fluorobenzoyl)-22-methoxy-13-[4-(1,2,4-triazol-1-yl)butanoyl]-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations