Geometry & MOs

Info

ID:	61108
PubChem CID:	26705745
Reduced:	FON5H12C15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	365.055816
ΔH_f, kcal/mol:	37.46
Dipole, Da:	10.72
IP(EA), eV:	-9.34(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=NN=N3)F

DOS

IR

Vibrations