Geometry & MOs

Info

ID:	149431
PubChem CID:	53789104
Reduced:	ClS2N4O4C13H17 (1)
Stoich.:	AB2C4D4E13F17 (1)
Weight, g/mol:	533.0975
ΔH_f, kcal/mol:	-101.14
Dipole, Da:	8.89
IP(EA), eV:	-9.37(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-6-fluorophenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)pyridin-3-yl]phenyl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1C=C(N=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations