Geometry & MOs

Info

ID:	224088
PubChem CID:	85338062
Reduced:	F3N4O5C29H39 (1)
Stoich.:	A3B4C5D29E39 (1)
Weight, g/mol:	588.22122
ΔH_f, kcal/mol:	-401.39
Dipole, Da:	5.79
IP(EA), eV:	-9.0(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(CNCC1=C(C=C(C=C1)C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations