Geometry & MOs

Info

ID:	152446
PubChem CID:	56311374
Reduced:	BrN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-72.39
Dipole, Da:	5.81
IP(EA), eV:	-8.43(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]furan-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)Br

DOS

IR

Vibrations