Geometry & MOs

Info

ID:	83457
PubChem CID:	49857614
Reduced:	S2N4O7H30C32 (1)
Stoich.:	A2B4C7D30E32 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-75.11
Dipole, Da:	15.61
IP(EA), eV:	-8.92(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)N(C)C)\O)/C(=O)C(=O)N2C4=NC=C(S4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations