Geometry & MOs

Info

ID:	67182
PubChem CID:	46506017
Reduced:	O6N7C22H23 (1)
Stoich.:	A6B7C22D23 (1)
Weight, g/mol:	559.181078
ΔH_f, kcal/mol:	20.54
Dipole, Da:	13.25
IP(EA), eV:	-9.49(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-3-phenyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCCC(=O)NC2=CC(=CC(=C2)O/N=C(/C)\C3=CC=NC=C3)[N+](=O)[O-])C)[N+](=O)[O-]

DOS

IR

Vibrations