Geometry & MOs

Info

ID:

433595

PubChem CID:

135173735

Reduced:

N3C31H39 (1)

Stoich.:

A3B31C39 (1)

Weight, g/mol:

685.337653

ΔHf, kcal/mol:

72.49

Dipole, Da:

4.46

IP(EA), eV:

 -8.13(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-2-oxoethyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC/C/1=C/C(=C/C(C)NC2=CC=CC(=C2C)C3=C(C(=CC=C3)NC(=C)CC)C)/C=C\C(N=C1)C

DOS

IR

Vibrations