Geometry & MOs

Info

ID:	67379
PubChem CID:	46506377
Reduced:	ClFSN3O3H19C21 (1)
Stoich.:	ABCD3E3F19G21 (1)
Weight, g/mol:	367.138819
ΔH_f, kcal/mol:	-57.03
Dipole, Da:	8.18
IP(EA), eV:	-8.94(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2C3C4=C(C=CC(=C4)[N+](=O)[O-])OC2(CC1)N(C(=S)N3)C5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations