Geometry & MOs

Info

ID:	813
PubChem CID:	3389
Reduced:	SO2F3N3C29H38 (1)
Stoich.:	AB2C3D3E29F38 (1)
Weight, g/mol:	549.263683
ΔH_f, kcal/mol:	-227.47
Dipole, Da:	1.68
IP(EA), eV:	-8.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl heptanoate

Drug info:

PubChemData

Smile

CCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations