Geometry & MOs

Info

ID:	33792
PubChem CID:	7888124
Reduced:	OS2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	395.209658
ΔH_f, kcal/mol:	2.54
Dipole, Da:	1.85
IP(EA), eV:	-8.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-adamantyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C

DOS

IR

Vibrations