Geometry & MOs

Info

ID:	143378
PubChem CID:	53199306
Reduced:	SO4N5C18H19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	455.05221
ΔH_f, kcal/mol:	-70.39
Dipole, Da:	2.7
IP(EA), eV:	-9.21(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7,12-dioxo-8-(thiophen-2-ylmethyl)-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl]-N-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=C(C=CS2)N3C1=NN(C3=O)CC(=O)NCC4=CC=CO4

DOS

IR

Vibrations