Geometry & MOs

Info

ID:	289454
PubChem CID:	104354887
Reduced:	BrSCl2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	370.04992
ΔH_f, kcal/mol:	-15.12
Dipole, Da:	2.26
IP(EA), eV:	-9.36(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-4-fluorophenyl)-chloromethyl]-3-methyladamantane

Drug info:

PubChemData

Smile

CC12CC3CC(C1)CC(C3)(C2)C(C4=C(SC(=C4)Cl)Cl)Br

DOS

IR

Vibrations