Geometry & MOs

Info

ID:	16345
PubChem CID:	464905
Reduced:	OSN2C10H13 (2)
Stoich.:	ABC2D10E13 (2)
Weight, g/mol:	418.149718
ΔH_f, kcal/mol:	-23.36
Dipole, Da:	6.07
IP(EA), eV:	-8.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-methylpiperidine-1-carbodithioate

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=S)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

DOS

IR

Vibrations