Geometry & MOs

Info

ID:	67393
PubChem CID:	46506397
Reduced:	S2N3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	374.11227
ΔH_f, kcal/mol:	-60.59
Dipole, Da:	3.25
IP(EA), eV:	-8.5(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=C(SC=C3)C(=O)OC

DOS

IR

Vibrations