Geometry & MOs

Info

ID:	67403
PubChem CID:	46506412
Reduced:	S2O3N4C18H26 (1)
Stoich.:	A2B3C4D18E26 (1)
Weight, g/mol:	395.052897
ΔH_f, kcal/mol:	-99.68
Dipole, Da:	3.8
IP(EA), eV:	-8.55(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3

DOS

IR

Vibrations