Geometry & MOs

Info

ID:	292060
PubChem CID:	114184727
Reduced:	BrOSN4H7C10 (1)
Stoich.:	ABCD4E7F10 (1)
Weight, g/mol:	380.0307
ΔH_f, kcal/mol:	80.71
Dipole, Da:	3.16
IP(EA), eV:	-8.62(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-iodothiophen-3-yl)-5-(oxan-4-yl)pentan-1-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)NC(=S)N2CC3=NOC=N3

DOS

IR

Vibrations