Geometry & MOs

Info

ID:	178069
PubChem CID:	76272493
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	497.219572
ΔH_f, kcal/mol:	-146.99
Dipole, Da:	7.04
IP(EA), eV:	-9.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC(CC4C(=O)OCC5=NC6=CC=CC=C6C(=N5)N)O

DOS

IR

Vibrations