Geometry & MOs

Info

ID:	147438
PubChem CID:	53787094
Reduced:	ClNOSH8C9 (1)
Stoich.:	ABCDE8F9 (1)
Weight, g/mol:	418.193966
ΔH_f, kcal/mol:	-17.58
Dipole, Da:	1.69
IP(EA), eV:	-9.17(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[2-butyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]-3-thiophen-2-ylprop-1-en-2-yl]-2H-tetrazole

Drug info:

PubChemData

Smile

C1C(=O)N(CS1)C2=CC=CC=C2Cl

DOS

IR

Vibrations