Geometry & MOs

Info

ID:	67392
PubChem CID:	46506396
Reduced:	SF3N3O4C22H22 (1)
Stoich.:	AB3C3D4E22F22 (1)
Weight, g/mol:	391.102434
ΔH_f, kcal/mol:	-262.13
Dipole, Da:	3.58
IP(EA), eV:	-8.79(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations