Geometry & MOs

Info

ID:	85166
PubChem CID:	49872186
Reduced:	FSO3N6C25H25 (1)
Stoich.:	ABC3D6E25F25 (1)
Weight, g/mol:	457.083173
ΔH_f, kcal/mol:	-25.12
Dipole, Da:	6.03
IP(EA), eV:	-9.39(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethylsulfonyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)N(C)C)C3=CC(=CC(=C3)C4=NNN=N4)F

DOS

IR

Vibrations