Geometry & MOs

Info

ID:	245269
PubChem CID:	99443236
Reduced:	FS2N3O3C20H22 (1)
Stoich.:	AB2C3D3E20F22 (1)
Weight, g/mol:	463.15772
ΔH_f, kcal/mol:	-116.84
Dipole, Da:	5.34
IP(EA), eV:	-8.79(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 5-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

DOS

IR

Vibrations