Geometry & MOs

Info

ID:	227653
PubChem CID:	87562168
Reduced:	S2N4O5C20H22 (1)
Stoich.:	A2B4C5D20E22 (1)
Weight, g/mol:	330.042312
ΔH_f, kcal/mol:	-140.39
Dipole, Da:	8.29
IP(EA), eV:	-9.3(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(trifluoromethyl)tetracene

Drug info:

PubChemData

Smile

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CN=C3)S(=O)(=O)N[C@H]4CCC[C@@H]([C@@H]4O)O

DOS

IR

Vibrations