Geometry & MOs

Info

ID:

431389

PubChem CID:

135171464

Reduced:

ClFSO2N6H30C31 (1)

Stoich.:

ABCD2E6F30G31 (1)

Weight, g/mol:

456.993379

ΔHf, kcal/mol:

-23.03

Dipole, Da:

4.58

IP(EA), eV:

 -8.78(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)sulfanyl-5-(dichloromethyl)-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CN=C(C=C2)C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(S5)CNCC6)F

DOS

IR

Vibrations