Geometry & MOs

Info

ID:	367011
PubChem CID:	127322866
Reduced:	SO3N4C18H28 (1)
Stoich.:	AB3C4D18E28 (1)
Weight, g/mol:	391.247107
ΔH_f, kcal/mol:	-116.66
Dipole, Da:	2.19
IP(EA), eV:	-8.34(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CN=C1SCC(=O)N2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations