Geometry & MOs

Info

ID:

423301

PubChem CID:

135119253

Reduced:

N2O2C21H24 (1)

Stoich.:

A2B2C21D24 (1)

Weight, g/mol:

697.358782

ΔHf, kcal/mol:

-6.75

Dipole, Da:

0.47

IP(EA), eV:

 -8.57(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C2=CC=CC=C12)CN3C[C@H]([C@@H](C3)O)CC4=CC(=NO4)C

DOS

IR

Vibrations