Geometry & MOs

Info

ID:	71326
PubChem CID:	48414627
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	408.183127
ΔH_f, kcal/mol:	-0.18
Dipole, Da:	4.31
IP(EA), eV:	-9.14(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CCC#C)NC1=S

DOS

IR

Vibrations