Geometry & MOs

Info

ID:	58158
PubChem CID:	24424439
Reduced:	ClOSN3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	-27.3
Dipole, Da:	4.0
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)Cl)C(=O)N

DOS

IR

Vibrations