Geometry & MOs

Info

ID:	14530
PubChem CID:	413677
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-23.38
Dipole, Da:	7.98
IP(EA), eV:	-8.67(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(diethylamino)propan-2-ylamino]-4-nitrothioxanthen-9-one

Drug info:

PubChemData

Smile

CCN(CC)CC(C)NC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O

DOS

IR

Vibrations