Geometry & MOs

Info

ID:

414788

PubChem CID:

135087751

Reduced:

N2O4C17H24 (1)

Stoich.:

A2B4C17D24 (1)

Weight, g/mol:

638.342798

ΔHf, kcal/mol:

-173.17

Dipole, Da:

3.92

IP(EA), eV:

 -9.72(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)N2CCC3(CC2)[C@H]([C@](CCO3)(C)O)O

DOS

IR

Vibrations