Geometry & MOs

Info

ID:	46328
PubChem CID:	10523902
Reduced:	FSN3O3C18H24 (1)
Stoich.:	ABC3D3E18F24 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-144.01
Dipole, Da:	6.78
IP(EA), eV:	-8.84(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(2R,3R,4R,5R)-1-methyl-2,5-bis(4-methylphenyl)-4-nitropyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

COC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCCCCC3)F

DOS

IR

Vibrations