Geometry & MOs

Info

ID:	361472
PubChem CID:	127303595
Reduced:	S2N4O4C15H22 (1)
Stoich.:	A2B4C4D15E22 (1)
Weight, g/mol:	363.252192
ΔH_f, kcal/mol:	-143.76
Dipole, Da:	4.77
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclobutylpyrrolidin-1-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCS(=O)(=O)CC1)NC(=O)C2CCCN2C3=NC=CS3

DOS

IR

Vibrations