Geometry & MOs

Info

ID:	131731
PubChem CID:	51254038
Reduced:	BrFN2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	389.140927
ΔH_f, kcal/mol:	-108.25
Dipole, Da:	5.17
IP(EA), eV:	-9.26(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CN(CC1=C(C=C(C=C1)Br)F)CC(=O)NCCOC

DOS

IR

Vibrations