Geometry & MOs

Info

ID:	126642
PubChem CID:	50971111
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	347.185844
ΔH_f, kcal/mol:	-103.86
Dipole, Da:	4.86
IP(EA), eV:	-9.31(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-4-propyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)C

DOS

IR

Vibrations