Geometry & MOs

Info

ID:	300198
PubChem CID:	121264575
Reduced:	N2O3H11C13 (2)
Stoich.:	A2B3C11D13 (2)
Weight, g/mol:	379.012613
ΔH_f, kcal/mol:	-114.3
Dipole, Da:	6.95
IP(EA), eV:	-8.4(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethynyl-2,2-difluoro-3,6,7-trihydroxy-3H-1-benzothiophen-5-yl)oxy]-5-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=CC(=C2)/C=C/NC(=O)NC3=CC=C(C=C3)NC(=O)N/C=C/C4=CC5=C(OCO5)C=C4

DOS

IR

Vibrations