Geometry & MOs

Info

ID:	364075
PubChem CID:	127313864
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	343.156577
ΔH_f, kcal/mol:	10.59
Dipole, Da:	5.71
IP(EA), eV:	-8.6(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1C2=CC=CN2CCN1CC(=O)NC3=NC4=C(S3)CCCC4

DOS

IR

Vibrations