Geometry & MOs

Info

ID:	58157
PubChem CID:	24424436
Reduced:	S2O3N4C22H32 (1)
Stoich.:	A2B3C4D22E32 (1)
Weight, g/mol:	297.070261
ΔH_f, kcal/mol:	-79.69
Dipole, Da:	3.66
IP(EA), eV:	-8.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)carbamothioyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NCC(C2=CC=CO2)N3CCCC3

DOS

IR

Vibrations