Geometry & MOs

Info

ID:	204627
PubChem CID:	79989321
Reduced:	OSN2C17H28 (1)
Stoich.:	ABC2D17E28 (1)
Weight, g/mol:	308.192235
ΔH_f, kcal/mol:	-89.37
Dipole, Da:	4.7
IP(EA), eV:	-8.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CCC(CC(=S)N)NC(=O)CC12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations