Geometry & MOs

Info

ID:	54321
PubChem CID:	17004728
Reduced:	BrO2N3H26C27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	439.137734
ΔH_f, kcal/mol:	4.4
Dipole, Da:	7.04
IP(EA), eV:	-8.84(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[4-(difluoromethoxy)-2-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCCN2C3=CC=CC=C3N=C2C4CC(=O)N(C4)C5=CC=C(C=C5)Br

DOS

IR

Vibrations