Geometry & MOs

Info

ID:	185059
PubChem CID:	77250045
Reduced:	ClSN4O5C29H41 (1)
Stoich.:	ABC4D5E29F41 (1)
Weight, g/mol:	556.271942
ΔH_f, kcal/mol:	-226.56
Dipole, Da:	3.7
IP(EA), eV:	-8.64(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)CN3CCC(CC3)C(=O)NC(CC4CCCCC4)C(=O)N.Cl

DOS

IR

Vibrations