Geometry & MOs

Info

ID:

178482

PubChem CID:

76336012

Reduced:

ClON2H17C21 (1)

Stoich.:

ABC2D17E21 (1)

Weight, g/mol:

716.285952

ΔHf, kcal/mol:

48.61

Dipole, Da:

10.89

IP(EA), eV:

 -8.18(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-(phthalazine-1-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(phthalazine-1-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=C)CN1C=C(C(=O)C2=CC=CC=C21)N3C=CC4=C3C=CC(=C4)Cl

DOS

IR

Vibrations