Geometry & MOs

Info

ID:	75372
PubChem CID:	48423391
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-9.9
Dipole, Da:	4.69
IP(EA), eV:	-9.22(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(butylcarbamoyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=NC(=NO2)C3=CC=CS3)OCC4CC4

DOS

IR

Vibrations