Geometry & MOs

Info

ID:	427350
PubChem CID:	135157487
Reduced:	FO3N7C26H30 (1)
Stoich.:	AB3C7D26E30 (1)
Weight, g/mol:	328.00117
ΔH_f, kcal/mol:	-29.7
Dipole, Da:	7.23
IP(EA), eV:	-8.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-bromo-2-(chloromethyl)imidazol-1-yl]methoxy]ethyl-trimethyl-lambda4-sulfane

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1N=C(C=C)N(CC2CCC(=O)N2C)C3=C(C(=CC(=C3)OC)OC)F)C4=CN(N=C4)C

DOS

IR

Vibrations