Geometry & MOs

Info

ID:	61363
PubChem CID:	26708585
Reduced:	FSN2O6C19H19 (1)
Stoich.:	ABC2D6E19F19 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-174.46
Dipole, Da:	4.2
IP(EA), eV:	-9.69(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations