Geometry & MOs

Info

ID:	219120
PubChem CID:	85090616
Reduced:	SN3O5C31H39 (1)
Stoich.:	AB3C5D31E39 (1)
Weight, g/mol:	563.94395
ΔH_f, kcal/mol:	-149.47
Dipole, Da:	6.64
IP(EA), eV:	-9.13(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-N-[(5-nitrothiophen-2-yl)methylideneamino]piperidine-1-carbothioamide;palladium(2+);dichloride

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)(CCNC(=O)C3=NC(=O)CC=C3)O)CS(=O)(=O)N4CCC5(CC4)C=CC6=CC=CC=C56)C

DOS

IR

Vibrations