Geometry & MOs

Info

ID:	39695
PubChem CID:	8141946
Reduced:	SN4O4C20H33 (1)
Stoich.:	AB4C4D20E33 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-142.18
Dipole, Da:	7.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754625
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC(C)C

DOS

IR

Vibrations