Geometry & MOs

Info

ID:

426542

PubChem CID:

135145900

Reduced:

Cl2O2N7H29C34 (1)

Stoich.:

A2B2C7D29E34 (1)

Weight, g/mol:

678.283365

ΔHf, kcal/mol:

58.19

Dipole, Da:

4.22

IP(EA), eV:

 -8.34(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1-[[8-[3-[2-chloro-3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1O)CC2=CN=C3C(=C2)C=CN=C3NC4=CC=CC(=C4Cl)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CO)Cl

DOS

IR

Vibrations