Geometry & MOs

Info

ID:	67404
PubChem CID:	46506414
Reduced:	ClO2S2N3C17H18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	379.066048
ΔH_f, kcal/mol:	-25.03
Dipole, Da:	2.33
IP(EA), eV:	-8.73(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations