Geometry & MOs

Info

ID:

445597

PubChem CID:

135268437

Reduced:

FO4N7H22C26 (1)

Stoich.:

AB4C7D22E26 (1)

Weight, g/mol:

616.246789

ΔHf, kcal/mol:

28.64

Dipole, Da:

11.48

IP(EA), eV:

 -8.41(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[6-[4-[4-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridin-3-yl]methylamino]-2-oxoethyl]sulfanylbutanedioic acid

Drug info:

PubChemData

Smile

CC(C#N)OC1=NN=C(C=C1)C(C2=C/C(=C/3\C4=C(C=C(C=C4)N5CCOCC5)NC=N3)/C(=CC2=O)F)N=O

DOS

IR

Vibrations