Geometry & MOs

Info

ID:	204699
PubChem CID:	79998901
Reduced:	BrOSC18H25 (1)
Stoich.:	ABCD18E25 (1)
Weight, g/mol:	362.042955
ΔH_f, kcal/mol:	-67.21
Dipole, Da:	2.83
IP(EA), eV:	-9.09(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-3-[chloro-(3,5-dimethyl-1-adamantyl)methyl]thiophene

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(C23CC4CC(C2)(CC(C4)(C3)C)C)O)Br

DOS

IR

Vibrations