Geometry & MOs

Info

ID:	319966
PubChem CID:	126657703
Reduced:	FSO2N4C26H27 (1)
Stoich.:	ABC2D4E26F27 (1)
Weight, g/mol:	397.04596
ΔH_f, kcal/mol:	27.05
Dipole, Da:	6.04
IP(EA), eV:	-7.31(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(6-bromo-1,3-benzoxazol-2-yl)imidazol-1-yl]methoxy]ethyl-trimethyl-lambda4-sulfane

Drug info:

PubChemData

Smile

CS(C)(C)CCOCN1C2=CC=CC=C2N=C1C3=NC4=C(O3)C=C(C=C4)C5=CC(=C(C=C5)F)N

DOS

IR

Vibrations