Geometry & MOs

Info

ID:	237215
PubChem CID:	92717921
Reduced:	SO3N5C25H29 (1)
Stoich.:	AB3C5D25E29 (1)
Weight, g/mol:	407.242021
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	10.78
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(adamantane-1-carbonylamino)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations