Geometry & MOs

Info

ID:	63241
PubChem CID:	26750279
Reduced:	BrN2O5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	494.165762
ΔH_f, kcal/mol:	-181.03
Dipole, Da:	2.78
IP(EA), eV:	-9.62(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC1CCCC1)OC(=O)/C=C/C2=CC=C(O2)Br

DOS

IR

Vibrations