Geometry & MOs

Info

ID:	992
PubChem CID:	3634
Reduced:	SN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	356.155849
ΔH_f, kcal/mol:	-45.38
Dipole, Da:	4.32
IP(EA), eV:	-8.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O

DOS

IR

Vibrations