Geometry & MOs

Info

ID:	231885
PubChem CID:	87574852
Reduced:	PSC2O3H7 (1)
Stoich.:	ABC2D3E7 (1)
Weight, g/mol:	474.149528
ΔH_f, kcal/mol:	-134.68
Dipole, Da:	4.65
IP(EA), eV:	-9.86(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-1-adamantyl)acetic acid;2-(3-chloro-1-adamantyl)acetyl chloride

Drug info:

PubChemData

Smile

CCS(=O)(=O)OP

DOS

IR

Vibrations