Geometry & MOs

Info

ID:	141174
PubChem CID:	52830179
Reduced:	SN3O6C23H25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	408.187149
ΔH_f, kcal/mol:	-186.48
Dipole, Da:	5.57
IP(EA), eV:	-8.98(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(cyclopropanecarbonyl)-N-[4-(2,4-dimethylphenyl)sulfanylphenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2CC2)C(=O)NCCN3C(=O)/C(=C\C4=CC5=C(C=C4)OCO5)/SC3=O

DOS

IR

Vibrations