Geometry & MOs

Info

ID:	7445
PubChem CID:	72712
Reduced:	SN2O2C22H26 (1)
Stoich.:	AB2C2D22E26 (1)
Weight, g/mol:	382.171499
ΔH_f, kcal/mol:	-53.97
Dipole, Da:	3.42
IP(EA), eV:	-8.34(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-1-[2-(2-methylpiperidin-1-yl)ethylamino]thioxanthen-9-one

Drug info:

PubChemData

Smile

CC1CCCCN1CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O

DOS

IR

Vibrations