Geometry & MOs

Info

ID:

421196

PubChem CID:

135115536

Reduced:

O2F3N4C21H25 (1)

Stoich.:

A2B3C4D21E25 (1)

Weight, g/mol:

628.358448

ΔHf, kcal/mol:

-198.46

Dipole, Da:

3.06

IP(EA), eV:

 -9.25(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,8S)-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-2-(2-methylpropyl)-14-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)CC3=CN=CN3)CN(C1=O)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations