Geometry & MOs

Info

ID:

433679

PubChem CID:

135173819

Reduced:

N5C27H29 (1)

Stoich.:

A5B27C29 (1)

Weight, g/mol:

723.293595

ΔHf, kcal/mol:

85.38

Dipole, Da:

6.26

IP(EA), eV:

 -8.19(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1-[[3-[[2-chloro-3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]carbamoyl]-2-hydroxy-1-methyl-2H-pyridin-5-yl]methyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)C2=C(C(=CC=C2)NC3=NC=CC4=CC(=CN=C43)CN5CCCC5)C

DOS

IR

Vibrations