Geometry & MOs

Info

ID:

433949

PubChem CID:

135174096

Reduced:

ClN4H18C19 (2)

Stoich.:

AB4C18D19 (2)

Weight, g/mol:

724.226634

ΔHf, kcal/mol:

144.75

Dipole, Da:

1.67

IP(EA), eV:

 -8.21(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-chloro-3-[[3-[[hydroxysulfanylmethyl(propyl)amino]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CN=C3C(=C2)C=CN=C3NC4=CC=CC(=C4Cl)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCCC8)Cl

DOS

IR

Vibrations