Geometry & MOs

Info

ID:	17077
PubChem CID:	483287
Reduced:	FON4H11C12 (2)
Stoich.:	ABC4D11E12 (2)
Weight, g/mol:	492.183378
ΔH_f, kcal/mol:	23.7
Dipole, Da:	9.11
IP(EA), eV:	-8.98(-0.69)
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-(triazol-1-ylmethyl)phenyl]imidazol-2-one

Drug info:

PubChemData

Smile

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=CN(C3=O)C4=CC=C(C=C4)CN5C=CN=N5

DOS

IR

Vibrations