Geometry & MOs

Info

ID:	77640
PubChem CID:	49658552
Reduced:	S2N3O4C25H27 (1)
Stoich.:	A2B3C4D25E27 (1)
Weight, g/mol:	437.144299
ΔH_f, kcal/mol:	-88.37
Dipole, Da:	3.52
IP(EA), eV:	-8.22(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)NC4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations