Geometry & MOs

Info

ID:	148643
PubChem CID:	53788311
Reduced:	NO3C30H39 (1)
Stoich.:	AB3C30D39 (1)
Weight, g/mol:	348.026618
ΔH_f, kcal/mol:	-95.61
Dipole, Da:	4.99
IP(EA), eV:	-8.04(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,5-dichlorophenyl)sulfanyl-1-(fluoromethyl)-5-propan-2-ylimidazol-2-yl]methanol

Drug info:

PubChemData

Smile

CCCCCCCCC1C=CC(=C2C1=C3C(=CCCC3(C)C)N2)C(=CC4=CC=C(O4)C(=O)O)C

DOS

IR

Vibrations