Geometry & MOs

Info

ID:	144000
PubChem CID:	53296549
Reduced:	SN4O4H20C22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	496.10054
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	10.61
IP(EA), eV:	-8.38(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-amino-4-(3-fluorophenyl)-6-naphthalen-1-ylthieno[2,3-b]pyridine-2-carbonyl]-3-methyloxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[N+]2=NOC(=C2C(=O)C3=C(C4=C(S3)N=C5CCCCCC5=C4)N)[O-]

DOS

IR

Vibrations