Geometry & MOs

Info

ID:

418275

PubChem CID:

135104043

Reduced:

O2N3C18H23 (1)

Stoich.:

A2B3C18D23 (1)

Weight, g/mol:

705.315597

ΔHf, kcal/mol:

-38.94

Dipole, Da:

5.0

IP(EA), eV:

 -9.06(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC=CC=C3C#N)CO

DOS

IR

Vibrations