Geometry & MOs

Info

ID:	155742
PubChem CID:	56367287
Reduced:	SN3O5C21H33 (1)
Stoich.:	AB3C5D21E33 (1)
Weight, g/mol:	459.255563
ΔH_f, kcal/mol:	-221.12
Dipole, Da:	7.36
IP(EA), eV:	-9.4(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(CC)CC

DOS

IR

Vibrations