Geometry & MOs

Info

ID:	156112
PubChem CID:	56369179
Reduced:	SO4N5C23H27 (1)
Stoich.:	AB4C5D23E27 (1)
Weight, g/mol:	439.214092
ΔH_f, kcal/mol:	-59.78
Dipole, Da:	8.25
IP(EA), eV:	-9.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-methyl-1-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CCC3=NC(=NO3)C4=CC=NC=C4

DOS

IR

Vibrations