Geometry & MOs

Info

ID:	77642
PubChem CID:	49658559
Reduced:	S2N3O4C23H31 (1)
Stoich.:	A2B3C4D23E31 (1)
Weight, g/mol:	489.119227
ΔH_f, kcal/mol:	-126.17
Dipole, Da:	5.51
IP(EA), eV:	-8.01(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)NC4CCCCCC4

DOS

IR

Vibrations