Geometry & MOs

Info

ID:	426009
PubChem CID:	135134775
Reduced:	ClN7C20H22 (1)
Stoich.:	AB7C20D22 (1)
Weight, g/mol:	442.097873
ΔH_f, kcal/mol:	119.62
Dipole, Da:	1.53
IP(EA), eV:	-8.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaen-13-yl]-1,4-thiazinane 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=C2C(=NC3=CC(=NC=C3C(=N2)C4=CC=CC=C4Cl)NCCN(C)C)NN1

DOS

IR

Vibrations