Geometry & MOs

Info

ID:	147558
PubChem CID:	53787214
Reduced:	O3N4C33H40 (1)
Stoich.:	A3B4C33D40 (1)
Weight, g/mol:	487.214092
ΔH_f, kcal/mol:	-79.53
Dipole, Da:	2.83
IP(EA), eV:	-9.14(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-propylsulfinylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(C2CC(CC(N(C2=O)NC(=O)CC(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N)C

DOS

IR

Vibrations