Geometry & MOs

Info

ID:	367136
PubChem CID:	127323420
Reduced:	SO2N5C16H25 (1)
Stoich.:	AB2C5D16E25 (1)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-60.67
Dipole, Da:	4.09
IP(EA), eV:	-8.87(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1=O)NC(=O)N2CCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations