Geometry & MOs

Info

ID:	153005
PubChem CID:	56312115
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	436.123898
ΔH_f, kcal/mol:	-94.65
Dipole, Da:	2.76
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(4-ethylsulfonylpiperazin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CN(CC3CC3)C(C)C4=CC=CC=C4

DOS

IR

Vibrations