Geometry & MOs

Info

ID:

417752

PubChem CID:

135102642

Reduced:

NO5C19H27 (1)

Stoich.:

AB5C19D27 (1)

Weight, g/mol:

687.338047

ΔHf, kcal/mol:

-197.19

Dipole, Da:

2.91

IP(EA), eV:

 -8.46(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCC(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC

DOS

IR

Vibrations