Geometry & MOs

Info

ID:

422998

PubChem CID:

135118746

Reduced:

SN2O4C18H22 (1)

Stoich.:

AB2C4D18E22 (1)

Weight, g/mol:

689.310787

ΔHf, kcal/mol:

-134.07

Dipole, Da:

3.67

IP(EA), eV:

 -9.65(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,8S,14S)-14-benzyl-10-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-5,17-dimethyl-8-propan-2-yl-1,4,7,10,13,16,18-heptazabicyclo[13.3.0]octadeca-15,17-diene-3,6,12-trione

Drug info:

PubChemData

Smile

CS(=O)(=O)CCC(=O)N[C@@H]1COC[C@H]1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations