Geometry & MOs

Info

ID:	222874
PubChem CID:	85332836
Reduced:	N3F4O8C25H25 (1)
Stoich.:	A3B4C8D25E25 (1)
Weight, g/mol:	574.20557
ΔH_f, kcal/mol:	-455.87
Dipole, Da:	1.64
IP(EA), eV:	-8.71(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-6-propan-2-ylphenyl)-4-butyl-3-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations