Geometry & MOs

Info

ID:	78297
PubChem CID:	49684336
Reduced:	SCl2O2N3C18H23 (1)
Stoich.:	AB2C2D3E18F23 (1)
Weight, g/mol:	432.219512
ΔH_f, kcal/mol:	-50.82
Dipole, Da:	2.41
IP(EA), eV:	-8.52(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methylsulfamoyl]phenyl]butanamide

Drug info:

PubChemData

Smile

CN1C=CC=C1CN2CCC(CC2)CNS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations