Geometry & MOs

Info

ID:

423786

PubChem CID:

135120217

Reduced:

SN3O4C17H21 (1)

Stoich.:

AB3C4D17E21 (1)

Weight, g/mol:

756.432282

ΔHf, kcal/mol:

-109.58

Dipole, Da:

6.64

IP(EA), eV:

 -9.38(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6R,9S,12S,18R)-12-benzyl-16-[2-ethyl-5-(2-methylpropyl)pyrazole-3-carbonyl]-3,9,10-trimethyl-18-phenyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=NC=CC3=CC=CC=C32

DOS

IR

Vibrations