Geometry & MOs

Info

ID:	38383
PubChem CID:	8034361
Reduced:	BrO3N4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	413.08122
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	5.04
IP(EA), eV:	-9.34(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)CCN(CC(=O)NC1=NOC=C1)C(=O)NC2=CC(=CC=C2)Br

DOS

IR

Vibrations