Geometry & MOs

Info

ID:	177768
PubChem CID:	76228790
Reduced:	SN3O5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	493.23589
ΔH_f, kcal/mol:	-150.34
Dipole, Da:	4.17
IP(EA), eV:	-9.64(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-1-(2,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCCN2C(=O)C3=CC(=O)N=C4C3C=C(C=C4)S(=O)(=O)N5CCOCC5

DOS

IR

Vibrations