Geometry & MOs

Info

ID:	353676
PubChem CID:	127285253
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	399.15764
ΔH_f, kcal/mol:	-79.92
Dipole, Da:	4.66
IP(EA), eV:	-9.39(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)NCC2(CCCC2)C3=CC=CC=C3

DOS

IR

Vibrations