Geometry & MOs

Info

ID:

433902

PubChem CID:

135174049

Reduced:

N9C38H41 (1)

Stoich.:

A9B38C41 (1)

Weight, g/mol:

709.374038

ΔHf, kcal/mol:

151.89

Dipole, Da:

4.36

IP(EA), eV:

 -8.44(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1-[[8-[3-[3-[1-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-[(Z)-prop-1-enyl]pyridin-2-yl]ethenylamino]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCNCC1=CC2=C(C(=NC=N2)NC3=CC=CC(=C3C)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)C)N=C1

DOS

IR

Vibrations