Geometry & MOs

Info

ID:	244622
PubChem CID:	99368385
Reduced:	N3O3C28H39 (1)
Stoich.:	A3B3C28D39 (1)
Weight, g/mol:	461.140927
ΔH_f, kcal/mol:	-131.28
Dipole, Da:	5.41
IP(EA), eV:	-8.68(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=CC(=C2)CNC(=O)[C@@H](CC(C)C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O

DOS

IR

Vibrations