Geometry & MOs

Info

ID:	17449
PubChem CID:	499441
Reduced:	OSN3C28H31 (1)
Stoich.:	ABC3D28E31 (1)
Weight, g/mol:	457.218784
ΔH_f, kcal/mol:	44.72
Dipole, Da:	4.16
IP(EA), eV:	-8.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazin-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations