Geometry & MOs

Info

ID:

433658

PubChem CID:

135173798

Reduced:

ClN7H32C36 (1)

Stoich.:

AB7C32D36 (1)

Weight, g/mol:

635.196714

ΔHf, kcal/mol:

167.24

Dipole, Da:

3.92

IP(EA), eV:

 -8.14(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1-[[8-[2-chloro-3-[2-chloro-3-[(3-ethyl-1,7-naphthyridin-8-yl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CCCC4)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)C=C)Cl

DOS

IR

Vibrations