Geometry & MOs

Info

ID:	157507
PubChem CID:	56435328
Reduced:	S2N3O3H19C22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	388.218449
ΔH_f, kcal/mol:	10.0
Dipole, Da:	7.71
IP(EA), eV:	-8.72(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-benzylsulfanyl-3-methylbutanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CNC(=O)C2=CN=C(S2)C3=CC=CS3)OCC4=CC=NC=C4

DOS

IR

Vibrations