Geometry & MOs

Info

ID:	245107
PubChem CID:	99437497
Reduced:	SO3N5C26H31 (1)
Stoich.:	AB3C5D26E31 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	-104.1
Dipole, Da:	7.97
IP(EA), eV:	-8.75(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)NC4=CC=C(C=C4)CN5CCC[C@H](C5)C(=O)N

DOS

IR

Vibrations