Geometry & MOs

Info

ID:

433592

PubChem CID:

135173732

Reduced:

SN6C32H32 (1)

Stoich.:

AB6C32D32 (1)

Weight, g/mol:

661.256816

ΔHf, kcal/mol:

135.46

Dipole, Da:

5.44

IP(EA), eV:

 -8.14(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[8-[3-[2-chloro-3-[[5-(pyrrolidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(S2)CNC3)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)C

DOS

IR

Vibrations