Geometry & MOs

Info

ID:	244540
PubChem CID:	99364868
Reduced:	SO2N5C24H25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	439.156577
ΔH_f, kcal/mol:	36.98
Dipole, Da:	5.56
IP(EA), eV:	-8.54(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NCC4=NOC(=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations