Geometry & MOs

Info

ID:	300199
PubChem CID:	121269842
Reduced:	NSF3O4H8C17 (1)
Stoich.:	ABC3D4E8F17 (1)
Weight, g/mol:	404.025404
ΔH_f, kcal/mol:	-168.1
Dipole, Da:	2.57
IP(EA), eV:	-9.53(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-amino-4-(difluoromethyl)-2,2-difluoro-6,7-dihydroxy-3H-1-benzothiophen-5-yl]oxy]-5-fluorobenzonitrile

Drug info:

PubChemData

Smile

C#CC1=C2C(C(SC2=C(C(=C1OC3=CC(=CC(=C3)C#N)F)O)O)(F)F)O

DOS

IR

Vibrations