Geometry & MOs

Info

ID:	27893
PubChem CID:	824046
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	-123.16
Dipole, Da:	4.24
IP(EA), eV:	-8.26(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations