Geometry & MOs

Info

ID:	67448
PubChem CID:	46506496
Reduced:	SO3N6C21H24 (1)
Stoich.:	AB3C6D21E24 (1)
Weight, g/mol:	444.219512
ΔH_f, kcal/mol:	-26.86
Dipole, Da:	3.26
IP(EA), eV:	-8.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methoxy-3-[(4-piperidin-1-ylpiperidine-1-carbothioyl)amino]-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations