Geometry & MOs

Info

ID:	67402
PubChem CID:	46506410
Reduced:	SN3O5C22H23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	410.144633
ΔH_f, kcal/mol:	-154.86
Dipole, Da:	7.94
IP(EA), eV:	-8.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-carbamoyl-4-piperidin-1-ylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CC3CC(C2)C4=CC=CC(=O)N4C3

DOS

IR

Vibrations