Geometry & MOs

Info

ID:	370470
PubChem CID:	127338994
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	286.135114
ΔH_f, kcal/mol:	-100.77
Dipole, Da:	2.28
IP(EA), eV:	-9.21(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

DOS

IR

Vibrations