Geometry & MOs

Info

ID:	204618
PubChem CID:	79989161
Reduced:	BrNS2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	47.66
Dipole, Da:	3.0
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCNC(C1=CC(=CS1)Br)C2=C(C=CS2)C

DOS

IR

Vibrations