Geometry & MOs

Info

ID:	180018
PubChem CID:	76567411
Reduced:	SN4O4C31H38 (1)
Stoich.:	AB4C4D31E38 (1)
Weight, g/mol:	548.245727
ΔH_f, kcal/mol:	-127.59
Dipole, Da:	7.61
IP(EA), eV:	-9.08(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[1-(1-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)NC4CCN(CC4C(C)C)C(=O)C5CCCN5

DOS

IR

Vibrations