Geometry & MOs

Info

ID:	218684
PubChem CID:	85089804
Reduced:	FN3O6C26H28 (1)
Stoich.:	AB3C6D26E28 (1)
Weight, g/mol:	495.140134
ΔH_f, kcal/mol:	-268.39
Dipole, Da:	5.17
IP(EA), eV:	-9.62(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(tetrazol-1-yl)phenyl]imidazole-2-thione

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)F

DOS

IR

Vibrations