Geometry & MOs

Info

ID:

427960

PubChem CID:

135165584

Reduced:

ClN8C38H41 (1)

Stoich.:

AB8C38D41 (1)

Weight, g/mol:

527.144569

ΔHf, kcal/mol:

151.58

Dipole, Da:

2.56

IP(EA), eV:

 -8.16(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[5-chloro-7-fluoro-6-(3-methoxynaphthalen-1-yl)-2,1-benzothiazol-3-yl]azetidin-3-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3C(=CC(=CN3N2)CN4CCCC4)Cl)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCCC8)C

DOS

IR

Vibrations