Geometry & MOs

Info

ID:	158781
PubChem CID:	56468412
Reduced:	FS2O3N6H19C21 (1)
Stoich.:	AB2C3D6E19F21 (1)
Weight, g/mol:	429.127089
ΔH_f, kcal/mol:	-8.21
Dipole, Da:	8.74
IP(EA), eV:	-9.31(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CS4)F

DOS

IR

Vibrations