Geometry & MOs

Info

ID:	85167
PubChem CID:	49872188
Reduced:	SO3F4N5H15C18 (1)
Stoich.:	AB3C4D5E15F18 (1)
Weight, g/mol:	401.165188
ΔH_f, kcal/mol:	-200.26
Dipole, Da:	8.6
IP(EA), eV:	-10.04(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F)C2=CC(=CC(=C2)C3=NNN=N3)F

DOS

IR

Vibrations