Geometry & MOs

Info

ID:	357961
PubChem CID:	127295461
Reduced:	SN3O4C17H31 (1)
Stoich.:	AB3C4D17E31 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-181.67
Dipole, Da:	3.07
IP(EA), eV:	-9.07(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[4-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)CC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations