Geometry & MOs

Info

ID:	185798
PubChem CID:	77349103
Reduced:	ClSN2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	510.31071
ΔH_f, kcal/mol:	59.32
Dipole, Da:	3.11
IP(EA), eV:	-8.79(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,6-diethylphenyl)butyl]-3-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2CC(NN2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations