Geometry & MOs

Info

ID:

46635

PubChem CID:

10525789

Reduced:

SO2N3H19C24 (1)

Stoich.:

AB2C3D19E24 (1)

Weight, g/mol:

413.144095

ΔHf, kcal/mol:

56.57

Dipole, Da:

6.25

IP(EA), eV:

 -8.97(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(10-chloro-8-thia-6,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)ethyl]-2-piperidin-1-ylethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)C3=C(C=CC=N3)C(=O)NC4=CN=CC=C4

DOS

IR

Vibrations