Geometry & MOs

Info

ID:	442400
PubChem CID:	135251845
Reduced:	SCl2N3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	477.190855
ΔH_f, kcal/mol:	57.54
Dipole, Da:	5.23
IP(EA), eV:	-7.87(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylphenothiazine

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations