Geometry & MOs

Info

ID:	347524
PubChem CID:	127272379
Reduced:	SN4O4C18H30 (1)
Stoich.:	AB4C4D18E30 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-135.82
Dipole, Da:	4.45
IP(EA), eV:	-9.09(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)NS(=O)(=O)CC(=O)N2CCN(CC2)CC3=CC(=NO3)C

DOS

IR

Vibrations