Geometry & MOs

Info

ID:

417792

PubChem CID:

135102771

Reduced:

N3O4C19H27 (1)

Stoich.:

A3B4C19D27 (1)

Weight, g/mol:

703.351589

ΔHf, kcal/mol:

-152.32

Dipole, Da:

5.01

IP(EA), eV:

 -8.97(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[(2,6-dimethylphenyl)methyl]-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC(=CC=C3)OCC(=O)N)CO

DOS

IR

Vibrations