Geometry & MOs

Info

ID:	3279
PubChem CID:	9429
Reduced:	OSN2C11H15 (2)
Stoich.:	ABC2D11E15 (2)
Weight, g/mol:	446.181019
ΔH_f, kcal/mol:	-23.15
Dipole, Da:	7.57
IP(EA), eV:	-8.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C

DOS

IR

Vibrations