Geometry & MOs

Info

ID:	158745
PubChem CID:	56468286
Reduced:	FO3N8C23H25 (1)
Stoich.:	AB3C8D23E25 (1)
Weight, g/mol:	438.138657
ΔH_f, kcal/mol:	-68.45
Dipole, Da:	14.6
IP(EA), eV:	-9.59(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=CC(=NC4=C3C(=O)NC(=O)N4CC(C)C)C(C)C)F

DOS

IR

Vibrations