Geometry & MOs

Info

ID:	244619
PubChem CID:	99368299
Reduced:	SN3O4H21C24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-26.64
Dipole, Da:	6.29
IP(EA), eV:	-9.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=NOC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations